data_[Tb12Ce2Sm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0875]
_cell_length_b [8.6783]
_cell_length_c [8.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6CeSm3]
_chemical_formula_sum '[Tb12 Ce2 Sm6]'
_cell_volume [690.7961]
_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  0.1202  0.1810  0.3538  1
  Tb  Tb1  4  0.1188  0.5000  0.8717  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.2203  0.0000  0.7299  1
  Sm  Sm4  2  0.0000  0.0000  0.0000  1
]