data_[Na12P8H4]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.5395]
_cell_length_b [10.9058]
_cell_length_c [6.8734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3P2H]
_chemical_formula_sum '[Na12 P8 H4]'
_cell_volume [490.1989]
_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  8  0.1812  0.7917  0.5000  1
  Na  Na1  4  0.0000  0.5000  0.2500  1
  P  P2  8  0.1548  0.0479  0.5000  1
  H  H3  4  0.0000  0.0000  0.2500  1
]