data_[Ce2Ga12]
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
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0146]
_cell_length_b [6.0146]
_cell_length_c [7.7257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [CeGa6]
_chemical_formula_sum '[Ce2 Ga12]'
_cell_volume [279.4823]
_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  0.0000  0.5000  0.0000  1.0
  Ga  Ga1  8  0.1837  0.3163  0.6482  1.0
  Ga  Ga2  4  0.0000  0.0000  0.1612  1.0
]