data_[Y16Os4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2034]
_cell_length_b [12.0558]
_cell_length_c [6.4986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4OsCl4]
_chemical_formula_sum '[Y16 Os4 Cl16]'
_cell_volume [956.0542]
_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  0.0767  0.1831  0.9879  1
  Y  Y1  8  0.1814  0.0769  0.5088  1
  Os  Os2  4  0.0000  0.0066  0.2500  1
  Cl  Cl3  8  0.1200  0.3017  0.5961  1
  Cl  Cl4  8  0.1977  0.3841  0.0960  1
]