data_[Y4Se4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.2662]
_cell_length_b [7.1553]
_cell_length_c [6.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSeBrO4]
_chemical_formula_sum '[Y4 Se4 Br4 O16]'
_cell_volume [480.7219]
_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
[
  Y  Y0  4  0.2294  0.0000  0.1304  1
  Se  Se1  4  0.1356  0.5000  0.2669  1
  Br  Br2  4  0.0187  0.0000  0.7565  1
  O  O3  8  0.1893  0.3224  0.1386  1
  O  O4  4  0.0283  0.5000  0.7657  1
  O  O5  4  0.2163  0.5000  0.5098  1
]