data_[Ce8Th6Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8790]
_cell_length_b [9.7492]
_cell_length_c [15.6288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce4Th3Ga4]
_chemical_formula_sum '[Ce8 Th6 Ga8]'
_cell_volume [591.0306]
_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  8  0.0000  0.2176  0.3095  1
  Th  Th1  4  0.0000  0.0000  0.1025  1
  Th  Th2  2  0.0000  0.5000  0.0000  1
  Ga  Ga3  4  0.0000  0.2766  0.5000  1
  Ga  Ga4  4  0.0000  0.5000  0.2369  1
]