data_[Y16Os4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7737]
_cell_length_b [12.6326]
_cell_length_c [6.5904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4OsBr4]
_chemical_formula_sum '[Y16 Os4 Br16]'
_cell_volume [1063.3858]
_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
[
  Y  Y0  8  0.0753  0.1743  0.4896  1.0
  Y  Y1  8  0.1731  0.0754  0.0085  1.0
  Os  Os2  4  0.0000  0.0049  0.7500  1.0
  Br  Br3  8  0.1181  0.3009  0.0923  1.0
  Br  Br4  8  0.1978  0.3875  0.5948  1.0
]