data_[Y2Br6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7896]
_cell_length_b [3.8434]
_cell_length_c [9.8061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YBr3]
_chemical_formula_sum '[Y2 Br6]'
_cell_volume [301.7695]
_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  0.3852  0.7500  0.6681  1.0
  Br  Br1  2  0.1649  0.2500  0.7080  1.0
  Br  Br2  2  0.3105  0.2500  0.4240  1.0
  Br  Br3  2  0.3899  0.7500  0.1396  1.0
]