data_[Tb4Pm6Mg6]
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 [Immm]
_cell_length_a [3.8168]
_cell_length_b [5.5237]
_cell_length_c [22.5906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb2(PmMg)3]
_chemical_formula_sum '[Tb4 Pm6 Mg6]'
_cell_volume [476.2729]
_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  0.0000  0.5000  0.2642  1
  Pm  Pm1  4  0.0000  0.0000  0.3751  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  4  0.0000  0.0000  0.1185  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
]