data_[La4Tb16In2]
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 [C2/m]
_cell_length_a [18.2797]
_cell_length_b [4.9637]
_cell_length_c [7.9687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tb8In]
_chemical_formula_sum '[La4 Tb16 In2]'
_cell_volume [699.0083]
_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
[
  Tb  Tb0  4  0.0433  0.0000  0.7255  1.0
  Tb  Tb1  4  0.0866  0.5000  0.4401  1.0
  Tb  Tb2  4  0.1331  0.0000  0.1715  1.0
  Tb  Tb3  4  0.1784  0.5000  0.9080  1.0
  La  La4  4  0.2216  0.0000  0.6340  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]