data_[La4Tb6Er2Se12]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1924]
_cell_length_b [4.1325]
_cell_length_c [8.3749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tb3ErSe6]
_chemical_formula_sum '[La4 Tb6 Er2 Se12]'
_cell_volume [612.1016]
_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  0.1670  0.0000  0.3353  1.0
  Tb  Tb1  4  0.1703  0.0000  0.8341  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0052  0.0000  0.7571  1.0
  Se  Se5  4  0.1626  0.5000  0.5934  1.0
  Se  Se6  4  0.1633  0.5000  0.0706  1.0
]