data_[La6Cd8In8]
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 [31.0169]
_cell_length_b [3.9615]
_cell_length_c [5.0046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(CdIn)4]
_chemical_formula_sum '[La6 Cd8 In8]'
_cell_volume [606.9244]
_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  0.1431  0.0000  0.1391  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.0933  0.5000  0.5912  1.0
  Cd  Cd3  4  0.2404  0.5000  0.2361  1.0
  In  In4  4  0.0481  0.5000  0.0465  1.0
  In  In5  4  0.1865  0.5000  0.6805  1.0
]