data_[Ce12Mn6Ge36Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1320]
_cell_length_b [6.1320]
_cell_length_c [36.7497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2MnGe6Os]
_chemical_formula_sum '[Ce12 Mn6 Ge36 Os6]'
_cell_volume [1196.7089]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1094  1
  Ce  Ce1  6  0.0000  0.0000  0.2978  1
  Mn  Mn2  3  -0.0000  -0.0000  0.5000  1
  Mn  Mn3  3  0.0000  0.0000  0.0000  1
  Ge  Ge4  18  0.0401  0.5201  0.2931  1
  Ge  Ge5  18  0.0599  0.5299  0.8691  1
  Os  Os6  6  0.0000  0.0000  0.4284  1
]