# generated using pymatgen
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46736309
_cell_length_b   4.57897892
_cell_length_c   5.54546714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00003797
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAsS
_chemical_formula_sum   'Co2 As2 S2'
_cell_volume   88.04528468
_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  0.75000241  0.73870532  0.49741142  1.0
  Co  Co1  1  0.24999759  0.26129468  0.99741142  1.0
  As  As2  1  0.25000367  0.04101635  0.37309786  1.0
  As  As3  1  0.74999633  0.95898365  0.87309886  1.0
  S  S4  1  0.74999929  0.55121697  0.12333973  1.0
  S  S5  1  0.25000071  0.44878303  0.62333973  1.0