data_[Ce6Al8Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7061]
_cell_length_b [4.5968]
_cell_length_c [8.7357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(Al2Ga)2]
_chemical_formula_sum '[Ce6 Al8 Ga4]'
_cell_volume [392.8315]
_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  0.1682  0.5000  0.6648  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0485  0.0000  0.3818  1.0
  Al  Al3  4  0.2279  0.5000  0.0616  1.0
  Ga  Ga4  4  0.1107  0.5000  0.2777  1.0
]