# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'C2 Ce Ni'

loop_
_publ_author_name
 'O. Yi. Bodak'
 'Je. P. Marusin'
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koj RSR Seriya A, Fiziko-Tekhnichni ta Matematichni Nauki
;
_journal_volume 12
_journal_year 1979
_journal_page_first 1048
_journal_page_last 1050
_publ_Section_title
;
 The Crystal Structure of RNiC$_2$ Compounds (R=Ce,La,Pr)
;

# Found in  Pearson's Handbook II, 1858-1859

_aflow_proto 'A2BC_oC8_38_e_a_b'
_aflow_params 'a,b/a,c/a,z1,z2,y3,z3'
_aflow_params_values '3.875,1.17470967742,1.59019354839,0.0,0.6144,0.155,0.2914'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC8'

_symmetry_space_group_name_Hall "A 2 -2"
_symmetry_space_group_name_H-M "A m m 2"
_symmetry_Int_Tables_number 38

_cell_length_a    3.87500
_cell_length_b    4.55200
_cell_length_c    6.16200
_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,z
4 -x,y,z
5 x,y+1/2,z+1/2
6 -x,-y+1/2,z+1/2
7 x,-y+1/2,z+1/2
8 -x,y+1/2,z+1/2

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
Ce1 Ce   2 a 0.00000 0.00000 0.00000 1.00000
Ni1 Ni   2 b 0.50000 0.00000 0.61440 1.00000
C1  C    4 e 0.50000 0.15500 0.29140 1.00000
