data_[Tb4Nd6Sm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2333]
_cell_length_b [12.5066]
_cell_length_c [7.2476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Nd3SmSe6]
_chemical_formula_sum '[Tb4 Nd6 Sm2 Se12]'
_cell_volume [617.9070]
_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  0.3336  0.0000  1.0
  Nd  Nd1  4  0.0000  0.1638  0.5000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2490  0.1690  0.2409  1.0
  Se  Se5  4  0.2416  0.5000  0.2385  1.0
]