data_[Ce12Ga12Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6721]
_cell_length_b [14.9874]
_cell_length_c [5.2345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce3Ga3Os2]
_chemical_formula_sum '[Ce12 Ga12 Os8]'
_cell_volume [680.3375]
_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  8  0.0296  0.6122  0.6012  1
  Ce  Ce1  4  0.1774  0.7500  0.0950  1
  Ga  Ga2  8  0.2106  0.5353  0.1141  1
  Ga  Ga3  4  0.1587  0.2500  0.0784  1
  Os  Os4  8  0.0609  0.0968  0.8869  1
]