data_[P8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6142]
_cell_length_b [3.3418]
_cell_length_c [10.4163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P2Se]
_chemical_formula_sum '[P8 Se4]'
_cell_volume [370.2094]
_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
[
  P  P0  2  0.1909  0.5000  0.8680  1.0
  P  P1  2  0.2003  0.0000  0.1879  1.0
  P  P2  2  0.3878  0.5000  0.1076  1.0
  P  P3  2  0.3929  0.0000  0.2548  1.0
  Se  Se4  2  0.2267  0.0000  0.7481  1.0
  Se  Se5  2  0.2450  0.5000  0.3713  1.0
]