data_[Ce16Sn12Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6774]
_cell_length_b [9.8301]
_cell_length_c [6.7377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4Sn3Os2]
_chemical_formula_sum '[Ce16 Sn12 Os8]'
_cell_volume [939.8950]
_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  8  0.0907  0.2501  0.0520  1.0
  Ce  Ce1  8  0.1919  0.3974  0.6282  1.0
  Sn  Sn2  8  0.1076  0.0796  0.4918  1.0
  Sn  Sn3  4  0.0000  0.4992  0.2500  1.0
  Os  Os4  8  0.2179  0.1337  0.8782  1.0
]