data_[Na16Bi2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9051]
_cell_length_b [13.3071]
_cell_length_c [5.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8BiP2]
_chemical_formula_sum '[Na16 Bi2 P4]'
_cell_volume [612.5152]
_cell_formula_units_Z [2]
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  0.1873  0.1386  0.0653  1.0
  Na  Na1  4  0.0000  0.2513  0.5000  1.0
  Na  Na2  4  0.1213  0.5000  0.2852  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5000  1.0
  P  P4  4  0.0000  0.3241  0.0000  1.0
]