data_[Tb8Nd6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4299]
_cell_length_b [7.1969]
_cell_length_c [6.2968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Nd3Mg]
_chemical_formula_sum '[Tb8 Nd6 Mg2]'
_cell_volume [517.9795]
_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  0.2444  0.3738  0.0173  1.0
  Tb  Tb1  2  0.0000  0.3761  0.3598  1.0
  Tb  Tb2  2  0.0000  0.8701  0.3669  1.0
  Nd  Nd3  4  0.2457  0.8797  0.0279  1.0
  Nd  Nd4  2  0.0000  0.6183  0.8407  1.0
  Mg  Mg5  2  0.0000  0.1250  0.8573  1.0
]