data_[Pr2In12Pd7]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [10.8168]
_cell_length_b [10.8168]
_cell_length_c [4.4968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pr2In12Pd7]
_chemical_formula_sum '[Pr2 In12 Pd7]'
_cell_volume [455.6557]
_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  0.3333  0.6667  0.0000  1
  In  In2  3  0.0781  0.6926  0.5000  1
  In  In3  3  0.0808  0.2688  0.0000  1
  In  In4  3  0.4560  0.2064  0.5000  1
  In  In5  3  0.5110  0.0380  0.0000  1
  Pd  Pd6  3  0.0914  0.4384  0.5000  1
  Pd  Pd7  3  0.3030  0.2095  0.0000  1
  Pd  Pd8  1  0.6667  0.3333  0.0000  1
]