data_[Yb4Br16]
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 [I4_1/a]
_cell_length_a [7.5281]
_cell_length_b [7.5281]
_cell_length_c [11.3942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [YbBr4]
_chemical_formula_sum '[Yb4 Br16]'
_cell_volume [645.7326]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Br  Br1  16  0.2190  0.2418  0.8325  1
]