data_[Tb6Sm4Mg6]
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 [Immm]
_cell_length_a [3.8121]
_cell_length_b [5.4535]
_cell_length_c [22.5000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3Sm2Mg3]
_chemical_formula_sum '[Tb6 Sm4 Mg6]'
_cell_volume [467.7580]
_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  0.0000  0.3771  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.5000  0.2654  1
  Mg  Mg3  4  0.0000  0.0000  0.1155  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
]