data_[Y2Sb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9906]
_cell_length_b [13.2466]
_cell_length_c [6.9911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSbBr6]
_chemical_formula_sum '[Y2 Sb2 Br12]'
_cell_volume [617.6657]
_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  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  8  0.2498  0.1461  0.2487  1.0
  Br  Br3  4  0.2486  0.0000  0.7498  1.0
]