data_[Ba6In1Pd1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.1788]
_cell_length_b [8.1788]
_cell_length_c [7.6923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [Ba6InPdPt]
_chemical_formula_sum '[Ba6 In1 Pd1 Pt1]'
_cell_volume [445.6271]
_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  6  0.0259  0.3368  0.7332  1.0
  In  In1  1  0.6667  0.3333  0.0000  1.0
  Pd  Pd2  1  0.0000  0.0000  0.5000  1.0
  Pt  Pt3  1  0.3333  0.6667  0.5000  1.0
]