data_[Ba2Ca6Pt2]
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/m]
_cell_length_a [6.9617]
_cell_length_b [7.3839]
_cell_length_c [7.4377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCa3Pt]
_chemical_formula_sum '[Ba2 Ca6 Pt2]'
_cell_volume [382.2293]
_cell_formula_units_Z [2]
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  2  0.3983  0.2500  0.3712  1.0
  Ca  Ca1  4  0.0853  0.0049  0.7436  1.0
  Ca  Ca2  2  0.3948  0.7500  0.1231  1.0
  Pt  Pt3  2  0.1802  0.7500  0.4499  1.0
]