data_[Ce6Si16Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1512]
_cell_length_b [9.9406]
_cell_length_c [11.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3Si8Os3]
_chemical_formula_sum '[Ce6 Si16 Os6]'
_cell_volume [475.3958]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.1882  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Si  Si2  8  0.0000  0.2856  0.3772  1
  Si  Si3  8  0.0000  0.3659  0.1642  1
  Os  Os4  4  0.0000  0.2146  0.0000  1
  Os  Os5  2  0.0000  0.5000  0.5000  1
]