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 [P2_1/c]
_cell_length_a [10.0897]
_cell_length_b [7.0050]
_cell_length_c [10.9702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCa3Pt]
_chemical_formula_sum '[Ba4 Ca12 Pt4]'
_cell_volume [770.1207]
_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  0.3968  0.0105  0.8208  1.0
  Ca  Ca1  4  0.0341  0.5972  0.1510  1.0
  Ca  Ca2  4  0.1667  0.0636  0.0900  1.0
  Ca  Ca3  4  0.3193  0.5307  0.9538  1.0
  Pt  Pt4  4  0.0994  0.7301  0.4071  1.0
]