data_[Li12Er4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9446]
_cell_length_b [11.9132]
_cell_length_c [13.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3ErBr6]
_chemical_formula_sum '[Li12 Er4 Br24]'
_cell_volume [1082.6322]
_cell_formula_units_Z [4]
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  8  0.2333  0.4212  0.4985  1.0
  Li  Li1  4  0.0000  0.4090  0.7500  1.0
  Er  Er2  4  0.2500  0.2500  0.0000  1.0
  Br  Br3  8  0.1227  0.2572  0.6187  1.0
  Br  Br4  8  0.1252  0.4172  0.1210  1.0
  Br  Br5  8  0.1394  0.0796  0.1203  1.0
]