data_[Li12Ce9Er3Se24]
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 [R-3m]
_cell_length_a [8.3431]
_cell_length_b [8.3431]
_cell_length_c [19.4873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4Ce3ErSe8]
_chemical_formula_sum '[Li12 Ce9 Er3 Se24]'
_cell_volume [1174.7348]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Li  Li1  3  -0.0000  -0.0000  0.0000  1
  Ce  Ce2  9  0.0000  0.5000  0.5000  1
  Er  Er3  3  0.0000  0.0000  0.5000  1
  Se  Se4  18  0.0092  0.5046  0.2520  1
  Se  Se5  6  0.0000  0.0000  0.2537  1
]