data_[Tb2Pm2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.2846]
_cell_length_b [7.2846]
_cell_length_c [19.6044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [TbPmI3]
_chemical_formula_sum '[Tb2 Pm2 I6]'
_cell_volume [900.9516]
_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  0.3333  0.6667  0.5000  1
  Pm  Pm1  2  0.0000  0.0000  0.4164  1
  I  I2  6  0.0000  0.4167  0.3826  1
]