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 [11.2122]
_cell_length_b [3.3427]
_cell_length_c [9.3735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P2Se]
_chemical_formula_sum '[P8 Se4]'
_cell_volume [343.7326]
_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  0.0657  0.5000  0.5763  1
  P  P1  2  0.3260  0.5000  0.3337  1
  P  P2  2  0.3618  0.0000  0.4964  1
  P  P3  2  0.4901  0.5000  0.2299  1
  Se  Se4  2  0.0679  0.0000  0.7477  1
  Se  Se5  2  0.4196  0.0000  0.0626  1
]