data_[Li2Ce8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8340]
_cell_length_b [7.4808]
_cell_length_c [7.7526]
_cell_angle_alpha [108.2360]
_cell_angle_beta [105.6513]
_cell_angle_gamma [107.6788]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li(Ce2Os)2]
_chemical_formula_sum '[Li2 Ce8 Os4]'
_cell_volume [328.2232]
_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
[
  Li  Li0  1  0.0987  0.9290  0.9842  1
  Li  Li1  1  0.3006  0.6866  0.5375  1
  Ce  Ce2  1  0.2075  0.0871  0.7143  1
  Ce  Ce3  1  0.3571  0.5023  0.1436  1
  Ce  Ce4  1  0.4323  0.0526  0.3756  1
  Ce  Ce5  1  0.5545  0.8532  0.9585  1
  Ce  Ce6  1  0.7695  0.5818  0.5636  1
  Ce  Ce7  1  0.7797  0.1866  0.7645  1
  Ce  Ce8  1  0.8449  0.5694  0.0787  1
  Ce  Ce9  1  0.9923  0.2349  0.3623  1
  Os  Os10  1  0.1244  0.5352  0.8108  1
  Os  Os11  1  0.4460  0.4250  0.6983  1
  Os  Os12  1  0.5760  0.2323  0.1308  1
  Os  Os13  1  0.7666  0.8740  0.3772  1
]