data_[Ce6Ga6Re4]
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 [C2/m]
_cell_length_a [15.7655]
_cell_length_b [4.5501]
_cell_length_c [5.0194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Ga3Re2]
_chemical_formula_sum '[Ce6 Ga6 Re4]'
_cell_volume [355.2538]
_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  0.1621  0.0000  0.0715  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  4  0.1286  0.5000  0.5640  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Re  Re4  4  0.2109  0.0000  0.5745  1.0
]