data_[Tb6Pm2Ir2]
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 [Pmn2_1]
_cell_length_a [7.6806]
_cell_length_b [6.5796]
_cell_length_c [6.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3PmIr]
_chemical_formula_sum '[Tb6 Pm2 Ir2]'
_cell_volume [316.0088]
_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  0.2489  0.3178  0.9261  1
  Tb  Tb1  2  0.0000  0.8461  0.9206  1
  Pm  Pm2  2  0.0000  0.1484  0.4304  1
  Ir  Ir3  2  0.0000  0.5040  0.1750  1
]