data_[Tb12Pm24Mg4]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.5832]
_cell_length_b [14.8290]
_cell_length_c [9.2345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3Pm6Mg]
_chemical_formula_sum '[Tb12 Pm24 Mg4]'
_cell_volume [1312.2999]
_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  0.1770  0.1442  0.4437  1
  Tb  Tb1  4  0.0000  0.4664  0.9286  1
  Pm  Pm2  8  0.1753  0.3447  0.2656  1
  Pm  Pm3  8  0.2167  0.0754  0.1016  1
  Pm  Pm4  4  0.0000  0.0618  0.7840  1
  Pm  Pm5  4  0.0000  0.2979  0.6521  1
  Mg  Mg6  4  0.0000  0.2435  0.9988  1
]