data_[Ba2Ca1Sb4Pt3]
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
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8171]
_cell_length_b [4.8171]
_cell_length_c [11.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2CaSb4Pt3]
_chemical_formula_sum '[Ba2 Ca1 Sb4 Pt3]'
_cell_volume [268.3092]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.7629  1.0
  Ca  Ca1  1  0.5000  0.5000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.3478  1.0
  Sb  Sb3  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  1  0.5000  0.5000  0.0000  1.0
  Pt  Pt5  2  0.0000  0.5000  0.1097  1.0
  Pt  Pt6  1  0.0000  0.0000  0.5000  1.0
]