# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'LaPtSi'
_chemical_formula_sum 'La Pt Si'

loop_
_publ_author_name
 'K. Klepp'
 'E. Parth{\\'e}'
_journal_name_full_name
;
 Acta Crystallographica Section B: Structural Science
;
_journal_volume 38
_journal_year 1982
_journal_page_first 1105
_journal_page_last 1108
_publ_Section_title
;
 $R$PtSi phases ($R$ = La, Ce, Pr, Nd, Sm and Gd) with an ordered ThSi$_{2}$ derivative structure
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'LaPtSi Structure'
_aflow_proto 'ABC_tI12_109_a_a_a'
_aflow_params 'a,c/a,z_{1},z_{2},z_{3}'
_aflow_params_values '4.2490694941,3.42174629325,0.081,0.666,0.5'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tI12'

_cell_length_a    4.2490694941
_cell_length_b    4.2490694941
_cell_length_c    14.5392377912
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "I 41 m d"
_symmetry_Int_Tables_number 109
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x+1/2,z+1/4
4 y,-x+1/2,z+1/4
5 -x,y,z
6 x,-y,z
7 y,x+1/2,z+1/4
8 -y,-x+1/2,z+1/4
9 x+1/2,y+1/2,z+1/2
10 -x+1/2,-y+1/2,z+1/2
11 -y+1/2,x,z+3/4
12 y+1/2,-x,z+3/4
13 -x+1/2,y+1/2,z+1/2
14 x+1/2,-y+1/2,z+1/2
15 y+1/2,x,z+3/4
16 -y+1/2,-x,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
La1 La   4 a 0.00000 0.00000 0.08100 1.00000
Pt1 Pt   4 a 0.00000 0.00000 0.66600 1.00000
Si1 Si   4 a 0.00000 0.00000 0.50000 1.00000
