data_[Ba4B4P4Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7705]
_cell_length_b [7.9530]
_cell_length_c [11.3160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaBPPt6]
_chemical_formula_sum '[Ba4 B4 P4 Pt24]'
_cell_volume [699.3158]
_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  0.2500  0.1479  1.0
  B  B1  4  0.0000  0.0000  0.5000  1.0
  P  P2  4  0.2500  0.2500  0.7500  1.0
  Pt  Pt3  16  0.2056  0.0352  0.6207  1.0
  Pt  Pt4  4  0.0000  0.2500  0.4316  1.0
  Pt  Pt5  4  0.0000  0.2500  0.8573  1.0
]