data_[La12Ce20Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.6012]
_cell_length_b [14.0481]
_cell_length_c [6.8078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La3Ce5Os2]
_chemical_formula_sum '[La12 Ce20 Os8]'
_cell_volume [1109.4964]
_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
[
  La  La0  8  0.2212  0.1706  0.5000  1
  La  La1  4  0.0000  0.0000  0.2500  1
  Ce  Ce2  8  0.0000  0.2836  0.2500  1
  Ce  Ce3  8  0.1905  0.4325  0.5000  1
  Ce  Ce4  4  0.0000  0.5000  0.2500  1
  Os  Os5  8  0.1151  0.1630  0.0000  1
]