data_[Ba18Pd2Pt6]
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 [7.8571]
_cell_length_b [11.7545]
_cell_length_c [12.9699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba9PdPt3]
_chemical_formula_sum '[Ba18 Pd2 Pt6]'
_cell_volume [1191.8860]
_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  4  0.1361  0.5761  0.7839  1
  Ba  Ba1  4  0.2391  0.5625  0.4605  1
  Ba  Ba2  4  0.3474  0.5691  0.1215  1
  Ba  Ba3  2  0.1400  0.2500  0.9662  1
  Ba  Ba4  2  0.2827  0.2500  0.6327  1
  Ba  Ba5  2  0.3898  0.2500  0.3059  1
  Pd  Pd6  2  0.0346  0.2500  0.4160  1
  Pt  Pt7  4  0.4505  0.0031  0.6692  1
  Pt  Pt8  2  0.0000  0.0000  0.0000  1
]