data_[Li3Pr3In3]
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 [P-6m2]
_cell_length_a [5.0733]
_cell_length_b [5.0733]
_cell_length_c [10.4022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiPrIn]
_chemical_formula_sum '[Li3 Pr3 In3]'
_cell_volume [231.8628]
_cell_formula_units_Z [3]
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  2  0.6667  0.3333  0.8196  1.0
  Li  Li1  1  0.3333  0.6667  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.3310  1.0
  Pr  Pr3  1  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.3333  0.6667  0.1559  1.0
  In  In5  1  0.6667  0.3333  0.5000  1.0
]