data_[Ba18H3Pd3Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7909]
_cell_length_b [7.7909]
_cell_length_c [22.2695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6HPdPt2]
_chemical_formula_sum '[Ba18 H3 Pd3 Pt6]'
_cell_volume [1170.6100]
_cell_formula_units_Z [3]
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  9  0.0010  0.3435  0.5837  1.0
  Ba  Ba1  9  0.0189  0.6685  0.0823  1.0
  H  H2  3  0.0000  0.0000  0.3273  1.0
  Pd  Pd3  3  0.0000  0.0000  0.8290  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0023  1.0
  Pt  Pt5  3  0.0000  0.0000  0.5067  1.0
]