data_[Ce16Os4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6007]
_cell_length_b [17.8422]
_cell_length_c [6.4143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce4OsC]
_chemical_formula_sum '[Ce16 Os4 C4]'
_cell_volume [526.5358]
_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  4  0.0000  0.0652  0.6381  1.0
  Ce  Ce1  4  0.0000  0.3002  0.9575  1.0
  Ce  Ce2  4  0.0000  0.3005  0.4327  1.0
  Ce  Ce3  4  0.0000  0.4486  0.6124  1.0
  Os  Os4  4  0.0000  0.1432  0.2091  1.0
  C  C5  4  0.0000  0.4130  0.2169  1.0
]