data_[La12In6Sn2]
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 [P2_1/c]
_cell_length_a [8.7890]
_cell_length_b [8.3914]
_cell_length_c [11.9485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6In3Sn]
_chemical_formula_sum '[La12 In6 Sn2]'
_cell_volume [672.5034]
_cell_formula_units_Z [2]
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  4  0.0134  0.6016  0.7762  1
  La  La1  4  0.2628  0.1878  0.5857  1
  La  La2  4  0.4077  0.6343  0.5561  1
  In  In3  4  0.2530  0.6663  0.2063  1
  In  In4  2  0.5000  0.0000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]