data_[Li6Pr2In9]
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 [P6/mmm]
_cell_length_a [5.9738]
_cell_length_b [5.9738]
_cell_length_c [13.8900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Li6Pr2In9]
_chemical_formula_sum '[Li6 Pr2 In9]'
_cell_volume [429.2740]
_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  4  0.3333  0.6667  0.6614  1
  Li  Li1  2  0.3333  0.6667  0.0000  1
  Pr  Pr2  2  0.0000  0.0000  0.3299  1
  In  In3  6  0.0000  0.5000  0.1764  1
  In  In4  3  0.0000  0.5000  0.5000  1
]