data_[Yb2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.0464]
_cell_length_b [4.0868]
_cell_length_c [9.1726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YbBr3]
_chemical_formula_sum '[Yb2 Br6]'
_cell_volume [288.9287]
_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
[
  Yb  Yb0  1  0.4945  0.0000  0.7499  1.0
  Yb  Yb1  1  0.6486  0.5000  0.2565  1.0
  Br  Br2  1  0.2350  0.5000  0.6075  1.0
  Br  Br3  1  0.4308  0.0000  0.0372  1.0
  Br  Br4  1  0.5419  0.0000  0.4564  1.0
  Br  Br5  1  0.7526  0.5000  0.8757  1.0
  Br  Br6  1  0.8975  0.0000  0.2771  1.0
  Br  Br7  1  0.9991  0.5000  0.7396  1.0
]