data_[Li12La3Mg3In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9525]
_cell_length_b [4.9525]
_cell_length_c [23.9483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4LaMgIn2]
_chemical_formula_sum '[Li12 La3 Mg3 In6]'
_cell_volume [508.7006]
_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  6  0.0000  0.0000  0.1337  1.0
  Li  Li1  6  0.0000  0.0000  0.3859  1.0
  La  La2  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  3  -0.0000  -0.0000  0.5000  1.0
  In  In4  6  0.0000  0.0000  0.2538  1.0
]