# generated using pymatgen
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50383219
_cell_length_b   4.61172457
_cell_length_c   5.58652306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAsS
_chemical_formula_sum   'Co2 As2 S2'
_cell_volume   90.27100045
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Co  Co0  1  0.50000000  0.73770800  0.49717500  1
  Co  Co1  1  0.00000000  0.26229200  0.99717500  1
  As  As2  1  0.50000000  0.96101700  0.87206400  1
  As  As3  1  0.00000000  0.03898300  0.37206400  1
  S  S4  1  0.50000000  0.54831900  0.12461200  1
  S  S5  1  0.00000000  0.45168100  0.62461200  1
