data_[Tb6Mg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6984]
_cell_length_b [10.5214]
_cell_length_c [5.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb3Mg5]
_chemical_formula_sum '[Tb6 Mg10]'
_cell_volume [422.2550]
_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  0.2414  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  4  0.2465  0.0000  0.5000  1.0
  Mg  Mg3  4  0.2500  0.2500  0.0000  1.0
  Mg  Mg4  2  0.0000  0.0000  0.0000  1.0
]