data_[La4Ce6Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  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 [18.4134]
_cell_length_b [4.1985]
_cell_length_c [8.4491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ce3ErSe6]
_chemical_formula_sum '[La4 Ce6 Er2 Se12]'
_cell_volume [633.8505]
_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  0.1655  0.0000  0.3338  1.0
  Ce  Ce1  4  0.1696  0.0000  0.8355  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0036  0.0000  0.7634  1.0
  Se  Se5  4  0.1610  0.5000  0.0762  1.0
  Se  Se6  4  0.1654  0.5000  0.5883  1.0
]