data_[Tb12Sm12Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3608]
_cell_length_b [11.7944]
_cell_length_c [15.7309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Sm3Mg2]
_chemical_formula_sum '[Tb12 Sm12 Mg8]'
_cell_volume [994.6268]
_cell_formula_units_Z [4]
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  8  0.0000  0.3548  0.5330  1
  Tb  Tb1  4  0.0000  0.4744  0.2500  1
  Sm  Sm2  8  0.0000  0.0402  0.6036  1
  Sm  Sm3  4  0.0000  0.2492  0.7500  1
  Mg  Mg4  8  0.0000  0.2263  0.1460  1
]