data_[Li6Ce4Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.2188]
_cell_length_b [12.5508]
_cell_length_c [6.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ce2ErSe6]
_chemical_formula_sum '[Li6 Ce4 Er2 Se12]'
_cell_volume [587.4977]
_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
[
  Li  Li0  4  0.0000  0.1609  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3324  0.0000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2471  0.1614  0.2577  1.0
  Se  Se5  4  0.2390  0.0000  0.7449  1.0
]