data_[Ce6Ga6Re6]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8918]
_cell_length_b [4.8918]
_cell_length_c [18.3824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeGaRe]
_chemical_formula_sum '[Ce6 Ga6 Re6]'
_cell_volume [380.9494]
_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  0.3764  1
  Ga  Ga1  6  0.0000  0.0000  0.7914  1
  Re  Re2  6  0.0000  0.0000  0.0657  1
]