data_[Y2Br2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7172]
_cell_length_b [3.9273]
_cell_length_c [6.7226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YBrO]
_chemical_formula_sum '[Y2 Br2 O2]'
_cell_volume [141.9581]
_cell_formula_units_Z [2]
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  2  0.1317  0.2500  0.2163  1
  Br  Br1  2  0.2893  0.7500  0.6141  1
  O  O2  2  0.1666  0.7500  0.0911  1
]