data_[Pr2In12Pt7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [11.3153]
_cell_length_b [11.3153]
_cell_length_c [4.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pr2In12Pt7]
_chemical_formula_sum '[Pr2 In12 Pt7]'
_cell_volume [458.4395]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.5000  1
  Pr  Pr1  1  0.6667  0.3333  0.0000  1
  In  In2  3  0.0547  0.5474  0.0000  1
  In  In3  3  0.1982  0.4423  0.5000  1
  In  In4  3  0.2724  0.0511  0.0000  1
  In  In5  3  0.3870  0.2848  0.5000  1
  Pt  Pt6  3  0.0527  0.7947  0.0000  1
  Pt  Pt7  3  0.4576  0.0875  0.5000  1
  Pt  Pt8  1  0.3333  0.6667  0.0000  1
]