data_[Ce12Ga4Re2]
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 [Amm2]
_cell_length_a [4.2938]
_cell_length_b [13.9435]
_cell_length_c [7.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce6Ga2Re]
_chemical_formula_sum '[Ce12 Ga4 Re2]'
_cell_volume [465.4012]
_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  0.0000  0.1170  0.8771  1.0
  Ce  Ce1  4  0.5000  0.2013  0.2039  1.0
  Ce  Ce2  2  0.0000  0.0000  0.2738  1.0
  Ce  Ce3  2  0.5000  0.0000  0.5517  1.0
  Ga  Ga4  4  0.0000  0.1738  0.5003  1.0
  Re  Re5  2  0.5000  0.0000  0.0118  1.0
]