data_[Na4P4H4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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/m]
_cell_length_a [11.6064]
_cell_length_b [7.7474]
_cell_length_c [6.9832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaPHSe3]
_chemical_formula_sum '[Na4 P4 H4 Se12]'
_cell_volume [566.5431]
_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
[
  Na  Na0  4  0.2034  0.5000  0.1892  1.0
  P  P1  4  0.0294  0.0000  0.1778  1.0
  H  H2  4  0.0000  0.2267  0.5000  1.0
  Se  Se3  8  0.0736  0.2345  0.7826  1.0
  Se  Se4  4  0.2352  0.0000  0.3483  1.0
]