# generated using pymatgen
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38096000
_cell_length_b   4.79162167
_cell_length_c   5.62706518
_cell_angle_alpha   94.46193177
_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   90.88375423
_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  0.50000000  0.50000000  1.0
  Co  Co1  1  0.00000000  0.00000000  0.00000000  1.0
  As  As2  1  0.50000000  0.70877800  0.13626700  1.0
  As  As3  1  0.50000000  0.29122200  0.86373300  1.0
  S  S4  1  0.00000000  0.22553300  0.35985700  1.0
  S  S5  1  0.00000000  0.77446700  0.64014300  1.0