# generated using pymatgen
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84604145
_cell_length_b   6.35961667
_cell_length_c   7.15154331
_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   'Co4 As4 S4'
_cell_volume   220.40317004
_cell_formula_units_Z   4
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  0.01492900  0.55390100  0.57540000  1
  Co  Co1  1  0.98507100  0.44609900  0.07540000  1
  Co  Co2  1  0.48507100  0.55390100  0.07540000  1
  Co  Co3  1  0.51492900  0.44609900  0.57540000  1
  As  As4  1  0.68485300  0.29665100  0.85683700  1
  As  As5  1  0.31514700  0.70334900  0.35683700  1
  As  As6  1  0.18485300  0.70334900  0.85683700  1
  As  As7  1  0.81514700  0.29665100  0.35683700  1
  S  S8  1  0.82474600  0.76929500  0.07973300  1
  S  S9  1  0.67525400  0.76929500  0.57973300  1
  S  S10  1  0.32474600  0.23070500  0.07973300  1
  S  S11  1  0.17525400  0.23070500  0.57973300  1
