# generated using pymatgen
data_CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31571782
_cell_length_b   3.46896173
_cell_length_c   5.82498610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs
_chemical_formula_sum   'Co4 As4'
_cell_volume   107.41287000
_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  0.75000000  0.49905700  0.30238100  1
  Co  Co1  1  0.75000000  0.99905700  0.19761900  1
  Co  Co2  1  0.25000000  0.50094300  0.69761900  1
  Co  Co3  1  0.25000000  0.00094300  0.80238100  1
  As  As4  1  0.75000000  0.79982300  0.58847300  1
  As  As5  1  0.25000000  0.70017700  0.08847300  1
  As  As6  1  0.25000000  0.20017700  0.41152700  1
  As  As7  1  0.75000000  0.29982300  0.91152700  1
