data_[Yb8C4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0490]
_cell_length_b [7.7819]
_cell_length_c [17.5964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Yb4C2Br5]
_chemical_formula_sum '[Yb8 C4 Br10]'
_cell_volume [554.4462]
_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  4  0.0000  0.2131  0.5000  1
  Yb  Yb1  4  0.0000  0.5000  0.1780  1
  C  C2  4  0.0000  0.5000  0.0369  1
  Br  Br3  8  0.0000  0.2657  0.3349  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]