data_[Ce20Tl4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8425]
_cell_length_b [7.8425]
_cell_length_c [13.5266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ce5TlOs2]
_chemical_formula_sum '[Ce20 Tl4 Os8]'
_cell_volume [831.9452]
_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  16  0.1591  0.3409  0.3665  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.0000  0.2500  1
  Os  Os3  8  0.1400  0.6400  0.5000  1
]