data_[Tb6Y8Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2865]
_cell_length_b [7.1446]
_cell_length_c [6.2070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Y4Mg]
_chemical_formula_sum '[Tb6 Y8 Mg2]'
_cell_volume [500.5157]
_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  0.2455  0.6201  0.9767  1
  Tb  Tb1  2  0.0000  0.6270  0.6391  1
  Y  Y2  4  0.2445  0.1268  0.9894  1
  Y  Y3  2  0.0000  0.1253  0.6398  1
  Y  Y4  2  0.0000  0.8722  0.1582  1
  Mg  Mg5  2  0.0000  0.3744  0.1459  1
]