data_[Ce12Os2Ru4]
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 [P2_1/c]
_cell_length_a [6.4240]
_cell_length_b [7.1640]
_cell_length_c [11.5255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6OsRu2]
_chemical_formula_sum '[Ce12 Os2 Ru4]'
_cell_volume [450.0773]
_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  0.0805  0.1870  0.4281  1.0
  Ce  Ce1  4  0.2834  0.6532  0.4445  1.0
  Ce  Ce2  4  0.4011  0.0609  0.2378  1.0
  Ru  Ru3  4  0.1795  0.1218  0.7278  1.0
  Os  Os4  2  0.5000  0.0000  0.5000  1.0
]