data_[Ce12Er4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7698]
_cell_length_b [4.0388]
_cell_length_c [9.2921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3ErOs2]
_chemical_formula_sum '[Ce12 Er4 Os8]'
_cell_volume [569.5091]
_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  0.0531  0.0000  0.3798  1.0
  Ce  Ce1  4  0.1329  0.5000  0.7307  1.0
  Ce  Ce2  4  0.2217  0.5000  0.3827  1.0
  Er  Er3  4  0.1102  0.0000  0.0342  1.0
  Os  Os4  4  0.0277  0.5000  0.1688  1.0
  Os  Os5  4  0.2414  0.0000  0.8953  1.0
]