data_[Ce4Cr2Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5590]
_cell_length_b [5.5590]
_cell_length_c [7.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ce2CrOs3]
_chemical_formula_sum '[Ce4 Cr2 Os6]'
_cell_volume [213.0802]
_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  4  0.3333  0.6667  0.0677  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Os  Os2  6  0.1668  0.3336  0.7500  1.0
]