data_[Li12Pr8In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2626]
_cell_length_b [16.7236]
_cell_length_c [8.3736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(PrIn2)2]
_chemical_formula_sum '[Li12 Pr8 In16]'
_cell_volume [877.0017]
_cell_formula_units_Z [4]
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  8  0.2500  0.2328  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  8  0.0000  0.1059  0.5964  1.0
  In  In3  8  0.0000  0.1734  0.9887  1.0
  In  In4  8  0.2500  0.0646  0.2500  1.0
]