data_[Tb8Sm4Th2Mg2]
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
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1130]
_cell_length_b [9.9174]
_cell_length_c [7.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb4Sm2ThMg]
_chemical_formula_sum '[Tb8 Sm4 Th2 Mg2]'
_cell_volume [501.6208]
_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  8  0.2500  0.2500  0.2448  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
]