data_[Er4C8Br4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1823]
_cell_length_b [9.1145]
_cell_length_c [7.3903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErC2BrO6]
_chemical_formula_sum '[Er4 C8 Br4 O24]'
_cell_volume [528.1219]
_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  0.4252  0.2500  1.0
  C  C1  8  0.2463  0.1459  0.2233  1.0
  Br  Br2  4  0.0000  0.0966  0.7500  1.0
  O  O3  8  0.1169  0.4064  0.6115  1.0
  O  O4  8  0.1533  0.2434  0.2303  1.0
  O  O5  8  0.2238  0.0825  0.0488  1.0
]