data_[Ba8Ca8Si24Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3331]
_cell_length_b [9.4134]
_cell_length_c [14.4181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [BaCaSi3Pt]
_chemical_formula_sum '[Ba8 Ca8 Si24 Pt8]'
_cell_volume [1131.0019]
_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  0.2500  0.2500  0.2500  1
  Ca  Ca1  8  0.0000  0.2435  0.0000  1
  Si  Si2  16  0.2494  0.0000  0.4191  1
  Si  Si3  8  0.0000  0.0000  0.3351  1
  Pt  Pt4  8  0.0000  0.0000  0.1627  1
]