data_[Ce16Os8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.3545]
_cell_length_b [8.4804]
_cell_length_c [8.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ce4Os2Ru]
_chemical_formula_sum '[Ce16 Os8 Ru4]'
_cell_volume [646.9048]
_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
[
  Ce  Ce0  4  0.0091  0.4506  0.7089  1.0
  Ce  Ce1  4  0.1127  0.8279  0.9309  1.0
  Ce  Ce2  4  0.1759  0.0538  0.6127  1.0
  Ce  Ce3  4  0.1875  0.1744  0.2386  1.0
  Ru  Ru4  4  0.1219  0.1370  0.8927  1.0
  Os  Os5  4  0.2002  0.8224  0.3742  1.0
  Os  Os6  2  0.0000  0.5632  0.0000  1.0
  Os  Os7  2  0.0000  0.7547  0.5000  1.0
]