data_[La8In8Sn4]
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 [C2/m]
_cell_length_a [12.0920]
_cell_length_b [4.9152]
_cell_length_c [11.7371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2In2Sn]
_chemical_formula_sum '[La8 In8 Sn4]'
_cell_volume [615.7277]
_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  4  0.0622  0.0000  0.3491  1.0
  La  La1  4  0.1794  0.0000  0.0725  1.0
  In  In2  4  0.0103  0.5000  0.8759  1.0
  In  In3  4  0.1350  0.5000  0.5592  1.0
  Sn  Sn4  4  0.2351  0.0000  0.7142  1.0
]