data_[Tb2Pr16In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8151]
_cell_length_b [5.2394]
_cell_length_c [8.3918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Pr4In)2]
_chemical_formula_sum '[Tb2 Pr16 In4]'
_cell_volume [735.6067]
_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  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.0530  0.0000  0.7377  1.0
  Pr  Pr2  4  0.1014  0.5000  0.4669  1.0
  Pr  Pr3  4  0.1439  0.0000  0.2045  1.0
  Pr  Pr4  4  0.1864  0.5000  0.9469  1.0
  In  In5  4  0.2251  0.0000  0.6398  1.0
]