data_[Tb12Pm20Mg4]
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 [C2/m]
_cell_length_a [14.7743]
_cell_length_b [11.7112]
_cell_length_c [9.0922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Pm5Mg]
_chemical_formula_sum '[Tb12 Pm20 Mg4]'
_cell_volume [1336.8553]
_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  4  0.1410  0.5000  0.0895  1
  Tb  Tb1  4  0.1976  0.5000  0.7801  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Tb  Tb3  2  0.0000  0.0000  0.5000  1
  Pm  Pm4  8  0.1695  0.2370  0.6919  1
  Pm  Pm5  4  0.0000  0.2560  0.0000  1
  Pm  Pm6  4  0.0521  0.5000  0.3526  1
  Pm  Pm7  4  0.1851  0.0000  0.4293  1
  Mg  Mg8  4  0.1348  0.0000  0.8605  1
]