data_[Ba4Ca12Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.4922]
_cell_length_b [6.4922]
_cell_length_c [19.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BaCa3Pt]
_chemical_formula_sum '[Ba4 Ca12 Pt4]'
_cell_volume [838.6229]
_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  0.5000  0.5462  1
  Ca  Ca1  8  0.0000  0.2521  0.1291  1
  Ca  Ca2  4  0.0000  0.0000  0.2914  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  2  0.0000  0.5000  0.2500  1
]