data_[La6Tb4Tm2Se12]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2237]
_cell_length_b [12.4719]
_cell_length_c [7.3521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Tb2TmSe6]
_chemical_formula_sum '[La6 Tb4 Tm2 Se12]'
_cell_volume [625.0938]
_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  0.0000  0.1691  0.5000  1.0
  Tb  Tb1  4  0.0000  0.3333  0.0000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2407  0.1643  0.2300  1.0
  Se  Se5  4  0.2488  0.5000  0.2324  1.0
]