data_[La12In8Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6889]
_cell_length_b [12.3187]
_cell_length_c [16.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3In2Sn3]
_chemical_formula_sum '[La12 In8 Sn12]'
_cell_volume [954.2023]
_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
[
  La  La0  8  0.0000  0.0571  0.6133  1.0
  La  La1  4  0.0000  0.3372  0.7500  1.0
  In  In2  8  0.0000  0.2278  0.1115  1.0
  Sn  Sn3  8  0.0000  0.3832  0.5368  1.0
  Sn  Sn4  4  0.0000  0.3927  0.2500  1.0
]