data_[Li3Er3Sc12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3563]
_cell_length_b [6.3563]
_cell_length_c [15.2957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiErSc4O8]
_chemical_formula_sum '[Li3 Er3 Sc12 O24]'
_cell_volume [535.1961]
_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  3  0.0000  0.0000  0.9958  1.0
  Er  Er1  3  0.0000  0.0000  0.6194  1.0
  Sc  Sc2  9  0.0017  0.5009  0.5001  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3791  1.0
  O  O4  9  0.0085  0.5042  0.7586  1.0
  O  O5  9  0.1819  0.3638  0.5754  1.0
  O  O6  3  0.0000  0.0000  0.2431  1.0
  O  O7  3  0.0000  0.0000  0.7602  1.0
]