# generated using pymatgen
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57871429
_cell_length_b   5.61311804
_cell_length_c   5.61832496
_cell_angle_alpha   90.00000000
_cell_angle_beta   92.55392687
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAsS
_chemical_formula_sum   'Co4 As4 S4'
_cell_volume   175.75737658
_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  0.50000000  0.50000000  -0.00000000  1
  Co  Co1  1  0.00000000  0.50000000  0.50000000  1
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1
  Co  Co3  1  0.50000000  0.00000000  0.50000000  1
  As  As4  1  0.62329500  0.87618600  0.12776900  1
  As  As5  1  0.37670500  0.12381400  0.87223100  1
  As  As6  1  0.62329500  0.62381400  0.62776900  1
  As  As7  1  0.37670500  0.37618600  0.37223100  1
  S  S8  1  0.12656000  0.61798900  0.88614400  1
  S  S9  1  0.87344000  0.38201100  0.11385600  1
  S  S10  1  0.87344000  0.11798900  0.61385600  1
  S  S11  1  0.12656000  0.88201100  0.38614400  1
