data_[La4Tb24In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.9820]
_cell_length_b [12.6187]
_cell_length_c [7.6645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La(Tb2In)3]
_chemical_formula_sum '[La4 Tb24 In12]'
_cell_volume [1255.5733]
_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
[
  Tb  Tb0  8  0.2006  0.4697  0.1261  1
  Tb  Tb1  8  0.2074  0.2023  0.3102  1
  Tb  Tb2  4  0.0000  0.0240  0.2101  1
  La  La3  4  0.0000  0.2752  0.6177  1
  Tb  Tb4  4  0.0000  0.2923  0.0797  1
  In  In5  8  0.1484  0.1149  0.9223  1
  In  In6  4  0.0000  0.4882  0.3606  1
]