data_[Ba16Na4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.4834]
_cell_length_b [23.2669]
_cell_length_c [8.7590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba4NaP]
_chemical_formula_sum '[Ba16 Na4 P4]'
_cell_volume [1321.2707]
_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
[
  Ba  Ba0  4  0.0000  0.0916  0.2185  1
  Ba  Ba1  4  0.0000  0.2957  0.9295  1
  Ba  Ba2  4  0.0000  0.3280  0.4442  1
  Ba  Ba3  4  0.0000  0.4757  0.0446  1
  Na  Na4  4  0.0000  0.1272  0.6997  1
  P  P5  4  0.0000  0.4071  0.7302  1
]