data_[Ce36Tc3Os18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3066]
_cell_length_b [12.3066]
_cell_length_c [11.6727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce12TcOs6]
_chemical_formula_sum '[Ce36 Tc3 Os18]'
_cell_volume [1531.0118]
_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  0.0229  0.2083  0.3910  1
  Ce  Ce1  18  0.0359  0.2043  0.8801  1
  Tc  Tc2  3  0.0000  0.0000  0.0000  1
  Os  Os3  18  0.0461  0.2656  0.6495  1
]