data_[Ce36Ni3Os18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3753]
_cell_length_b [12.3753]
_cell_length_c [11.5820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce12NiOs6]
_chemical_formula_sum '[Ce36 Ni3 Os18]'
_cell_volume [1536.1296]
_cell_formula_units_Z [3]
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  18  0.0246  0.8155  0.3911  1
  Ce  Ce1  18  0.0349  0.8289  0.8838  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Os  Os3  18  0.0481  0.7821  0.6526  1
]