data_[Ce12Os2C6]
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 [P2_1/m]
_cell_length_a [10.8745]
_cell_length_b [3.6145]
_cell_length_c [11.1681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6OsC3]
_chemical_formula_sum '[Ce12 Os2 C6]'
_cell_volume [401.9771]
_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
[
  Ce  Ce0  2  0.0500  0.7500  0.3836  1.0
  Ce  Ce1  2  0.0902  0.7500  0.9251  1.0
  Ce  Ce2  2  0.2631  0.2500  0.2328  1.0
  Ce  Ce3  2  0.2694  0.7500  0.7160  1.0
  Ce  Ce4  2  0.3772  0.2500  0.5129  1.0
  Ce  Ce5  2  0.4786  0.7500  0.1334  1.0
  Os  Os6  2  0.2967  0.2500  0.9618  1.0
  C  C7  2  0.0866  0.7500  0.1487  1.0
  C  C8  2  0.1532  0.2500  0.5498  1.0
  C  C9  2  0.4776  0.7500  0.6712  1.0
]