data_[Tb12Pm4Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.8635]
_cell_length_b [13.7290]
_cell_length_c [7.0650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb3PmIr2]
_chemical_formula_sum '[Tb12 Pm4 Ir8]'
_cell_volume [665.7309]
_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  0.0000  0.2376  0.2500  1
  Tb  Tb1  4  0.0000  0.5000  0.2500  1
  Pm  Pm2  4  0.0000  0.0000  0.0000  1
  Ir  Ir3  8  0.2118  0.3615  0.5000  1
]