data_[K8P4H4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7908]
_cell_length_b [9.1183]
_cell_length_c [9.3316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2PHSe4]
_chemical_formula_sum '[K8 P4 H4 Se16]'
_cell_volume [938.3287]
_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
[
  K  K0  4  0.0000  0.0000  0.0000  1
  K  K1  4  0.2500  0.2500  0.5000  1
  P  P2  4  0.2500  0.2500  0.0000  1
  H  H3  4  0.0000  0.5000  0.0000  1
  Se  Se4  8  0.0999  0.3607  0.1077  1
  Se  Se5  8  0.2226  0.4447  0.8014  1
]