data_[La4Tb2Sm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5502]
_cell_length_b [5.1649]
_cell_length_c [10.9605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2TbSm6]
_chemical_formula_sum '[La4 Tb2 Sm12]'
_cell_volume [619.8768]
_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
[
  La  La0  4  0.1656  0.5000  0.7212  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Sm  Sm2  4  0.0002  0.0000  0.8341  1
  Sm  Sm3  4  0.1663  0.5000  0.0561  1
  Sm  Sm4  4  0.1669  0.5000  0.3890  1
]