data_[Ba4Pd2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3060]
_cell_length_b [4.7226]
_cell_length_c [8.8909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2PdPt]
_chemical_formula_sum '[Ba4 Pd2 Pt2]'
_cell_volume [247.9128]
_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  0.2138  0.2500  0.4333  1.0
  Ba  Ba1  2  0.2962  0.7500  0.0720  1.0
  Pd  Pd2  2  0.1459  0.2500  0.7839  1.0
  Pt  Pt3  2  0.3539  0.7500  0.7153  1.0
]