# generated using pymatgen
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58590337
_cell_length_b   5.59044160
_cell_length_c   5.57938872
_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   174.23129063
_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  0.50138800  0.49337100  0.23908500  1
  Co  Co1  1  0.50138800  0.99337100  0.76091500  1
  Co  Co2  1  0.00138800  0.00662900  0.23908500  1
  Co  Co3  1  0.00138800  0.50662900  0.76091500  1
  As  As4  1  0.38308900  0.87889800  0.37058000  1
  As  As5  1  0.88308900  0.62110200  0.37058000  1
  As  As6  1  0.38308900  0.37889800  0.62942000  1
  As  As7  1  0.88308900  0.12110200  0.62942000  1
  S  S8  1  0.62252300  0.11871100  0.12932000  1
  S  S9  1  0.12252300  0.38128900  0.12932000  1
  S  S10  1  0.12252300  0.88128900  0.87068000  1
  S  S11  1  0.62252300  0.61871100  0.87068000  1
