data_[Yb1Se4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7689]
_cell_length_b [7.4950]
_cell_length_c [8.1477]
_cell_angle_alpha [80.8863]
_cell_angle_beta [67.1914]
_cell_angle_gamma [87.8839]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Yb(Se2Br3)2]
_chemical_formula_sum '[Yb1 Se4 Br6]'
_cell_volume [376.0840]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.0870  0.5309  0.6769  1.0
  Se  Se2  2  0.2174  0.6191  0.3188  1.0
  Br  Br3  2  0.0811  0.1537  0.2759  1.0
  Br  Br4  2  0.3219  0.7293  0.9708  1.0
  Br  Br5  2  0.3283  0.2296  0.6872  1.0
]