# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha Niobium phosphide'
_chemical_formula_sum 'Nb P'
 
loop_
_publ_author_name
 'N. Sch\"{o}nberg'
_journal_name_full
;
Acta Chemica Scandinavica
;
_journal_volume 8
_journal_year 1954
_journal_page_first 226
_journal_page_last 239
_publ_Section_title
;
 An X-Ray Investigation of Transition Metal Phosphides
;

# Found in  Pearson's Handbook, Vol. IV, pp. 4511

_aflow_proto 'AB_tI8_141_a_b' 
_aflow_params 'a,c/a' 
_aflow_params_values '3.325,3.42255639098' 
_aflow_Strukturbericht '"40"' 
_aflow_Pearson 'tI8' 

_symmetry_space_group_name_Hall "-I 4bd 2"
_symmetry_space_group_name_H-M "I 41/a m d:2"
_symmetry_Int_Tables_number 141

_cell_length_a    3.32500
_cell_length_b    3.32500
_cell_length_c    11.38000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y+1/2,-z
4 -x,-y+1/2,z
5 -y+1/4,-x+1/4,-z+3/4
6 -y+1/4,x+3/4,z+1/4
7 y+3/4,-x+3/4,z+1/4
8 y+3/4,x+1/4,-z+3/4
9 -x,-y,-z
10 -x,y,z
11 x,-y+1/2,z
12 x,y+1/2,-z
13 y+3/4,x+3/4,z+1/4
14 y+3/4,-x+1/4,-z+3/4
15 -y+1/4,x+1/4,-z+3/4
16 -y+1/4,-x+3/4,z+1/4
17 x+1/2,y+1/2,z+1/2
18 x+1/2,-y+1/2,-z+1/2
19 -x+1/2,y,-z+1/2
20 -x+1/2,-y,z+1/2
21 -y+3/4,-x+3/4,-z+1/4
22 -y+3/4,x+1/4,z+3/4
23 y+1/4,-x+1/4,z+3/4
24 y+1/4,x+3/4,-z+1/4
25 -x+1/2,-y+1/2,-z+1/2
26 -x+1/2,y+1/2,z+1/2
27 x+1/2,-y,z+1/2
28 x+1/2,y,-z+1/2
29 y+1/4,x+1/4,z+3/4
30 y+1/4,-x+3/4,-z+1/4
31 -y+3/4,x+3/4,-z+1/4
32 -y+3/4,-x+1/4,z+3/4
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb1 Nb   4 a 0.00000 0.75000 0.12500 1.00000
P1  P    4 b 0.00000 0.25000 0.37500 1.00000
