data_[La6Nd4Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  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 [18.5514]
_cell_length_b [4.2182]
_cell_length_c [8.5304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Nd2ErSe6]
_chemical_formula_sum '[La6 Nd4 Er2 Se12]'
_cell_volume [649.3932]
_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  0.1698  0.0000  0.8333  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  4  0.1680  0.0000  0.3358  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0005  0.0000  0.7664  1.0
  Se  Se5  4  0.1594  0.5000  0.0815  1.0
  Se  Se6  4  0.1666  0.5000  0.5816  1.0
]