data_[Li1Pa1Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.7411]
_cell_length_b [5.7411]
_cell_length_c [4.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiPaPt6]
_chemical_formula_sum '[Li1 Pa1 Pt6]'
_cell_volume [133.7654]
_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
[
  Li  Li0  1  0.3333  0.6667  0.5000  1
  Pa  Pa1  1  0.0000  0.0000  0.0000  1
  Pt  Pt2  3  0.0017  0.5009  0.0000  1
  Pt  Pt3  3  0.3397  0.1699  0.5000  1
]