data_[Er4Ag8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6222]
_cell_length_b [13.4429]
_cell_length_c [7.1016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er(AgBr3)2]
_chemical_formula_sum '[Er4 Ag8 Br24]'
_cell_volume [1310.2259]
_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
[
  Er  Er0  4  0.0000  0.0811  0.7500  1.0
  Ag  Ag1  8  0.0857  0.4028  0.6603  1.0
  Br  Br2  8  0.1130  0.4176  0.0633  1.0
  Br  Br3  8  0.1140  0.0664  0.1550  1.0
  Br  Br4  8  0.1284  0.2161  0.6847  1.0
]