data_[Tb36Pm18Mg6]
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 [R-3]
_cell_length_a [9.1948]
_cell_length_b [9.1948]
_cell_length_c [26.9560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6Pm3Mg]
_chemical_formula_sum '[Tb36 Pm18 Mg6]'
_cell_volume [1973.6432]
_cell_formula_units_Z [6]
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  18  0.0322  0.2240  0.1070  1
  Tb  Tb1  18  0.0672  0.2531  0.2275  1
  Pm  Pm2  18  0.0603  0.2416  0.6669  1
  Mg  Mg3  3  -0.0000  0.0000  0.5000  1
  Mg  Mg4  3  0.0000  0.0000  0.0000  1
]