# generated using pymatgen
data_CoPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60804837
_cell_length_b   5.60804837
_cell_length_c   5.60804837
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPSe
_chemical_formula_sum   'Co4 P4 Se4'
_cell_volume   176.37427941
_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  0.48882500  0.51117500  0.01117500  1
  Co  Co1  1  0.51117500  0.01117500  0.48882500  1
  Co  Co2  1  0.01117500  0.48882500  0.51117500  1
  Co  Co3  1  0.98882500  0.98882500  0.98882500  1
  P  P4  1  0.87961800  0.12038200  0.62038200  1
  P  P5  1  0.12038200  0.62038200  0.87961800  1
  P  P6  1  0.62038200  0.87961800  0.12038200  1
  P  P7  1  0.37961800  0.37961800  0.37961800  1
  Se  Se8  1  0.11985400  0.88014600  0.38014600  1
  Se  Se9  1  0.88014600  0.38014600  0.11985400  1
  Se  Se10  1  0.38014600  0.11985400  0.88014600  1
  Se  Se11  1  0.61985400  0.61985400  0.61985400  1
