data_[Ce6Os2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5661]
_cell_length_b [3.7724]
_cell_length_c [8.2986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3Os]
_chemical_formula_sum '[Ce6 Os2]'
_cell_volume [201.2826]
_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  0.0806  0.7500  0.8707  1.0
  Ce  Ce1  2  0.2359  0.7500  0.4491  1.0
  Ce  Ce2  2  0.3993  0.2500  0.1307  1.0
  Os  Os3  2  0.2930  0.2500  0.6979  1.0
]