data_[Er4Se4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1946]
_cell_length_b [7.0797]
_cell_length_c [6.7010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSeBrO4]
_chemical_formula_sum '[Er4 Se4 Br4 O16]'
_cell_volume [468.5369]
_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  0.2295  0.0000  0.1286  1.0
  Se  Se1  4  0.1355  0.5000  0.2680  1.0
  Br  Br2  4  0.0179  0.0000  0.7566  1.0
  O  O3  8  0.1904  0.3212  0.1385  1.0
  O  O4  4  0.0296  0.5000  0.7666  1.0
  O  O5  4  0.2163  0.5000  0.5129  1.0
]