# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'CoAsS'
_chemical_formula_sum 'As Co S'

loop_
_publ_author_name
 'M. E. Fleet'
 'P. C. Burns'
_journal_name_full_name
;
 Canadian Mineralogist
;
_journal_volume 28
_journal_year 1990
_journal_page_first 719
_journal_page_last 723
_publ_Section_title
;
 Structure and twinning of cobaltite
;

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

_aflow_title 'Cobaltite (CoAsS) Structure'
_aflow_proto 'ABC_oP12_29_a_a_a'
_aflow_params 'a,b/a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '5.2594682584,0.963498098863,0.965209125484,0.61885,0.63065,0.11668,0.50496,0.24091,0.0,0.61734,0.13129,0.37996'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP12'

_cell_length_a    5.2594682584
_cell_length_b    5.0674876680
_cell_length_c    5.0764867582
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P c a 21"
_symmetry_Int_Tables_number 29
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x+1/2,y,z+1/2
4 x+1/2,-y,z
 
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
As1 As   4 a 0.61885 0.63065 0.11668 1.00000
Co1 Co   4 a 0.50496 0.24091 0.00000 1.00000
S1  S    4 a 0.61734 0.13129 0.37996 1.00000
