data_[La6Cd8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5441]
_cell_length_b [5.0840]
_cell_length_c [9.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(Cd2In)2]
_chemical_formula_sum '[La6 Cd8 In4]'
_cell_volume [500.7626]
_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  0.1660  0.5000  0.6707  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0754  0.0000  0.4109  1.0
  Cd  Cd3  4  0.2054  0.5000  0.0362  1.0
  In  In4  4  0.1104  0.5000  0.2766  1.0
]