data_[Ba32P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [12.6813]
_cell_length_b [13.4540]
_cell_length_c [11.3625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ba4P3]
_chemical_formula_sum '[Ba32 P24]'
_cell_volume [1938.5974]
_cell_formula_units_Z [8]
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  8  0.0990  0.7634  0.2838  1
  Ba  Ba1  8  0.1692  0.0680  0.3191  1
  Ba  Ba2  4  0.0000  0.5000  0.1805  1
  Ba  Ba3  4  0.1067  0.2056  0.0000  1
  Ba  Ba4  4  0.1208  0.3745  0.5000  1
  Ba  Ba5  4  0.2253  0.9194  0.0000  1
  P  P6  8  0.1624  0.3210  0.2361  1
  P  P7  4  0.0000  0.0000  0.1011  1
  P  P8  4  0.0342  0.9220  0.5000  1
  P  P9  4  0.1385  0.6131  0.5000  1
  P  P10  4  0.1395  0.6366  0.0000  1
]