data_[Tb4Er6Tm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  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 [17.7081]
_cell_length_b [4.0346]
_cell_length_c [8.1283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Er3TmSe6]
_chemical_formula_sum '[Tb4 Er6 Tm2 Se12]'
_cell_volume [564.1337]
_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  0.1685  0.0000  0.3361  1.0
  Er  Er1  4  0.1691  0.0000  0.8327  1.0
  Er  Er2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0017  0.0000  0.7525  1.0
  Se  Se5  4  0.1646  0.5000  0.5861  1.0
  Se  Se6  4  0.1649  0.5000  0.0784  1.0
]