data_[Ce4Ga6Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5267]
_cell_length_b [4.2877]
_cell_length_c [7.1199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Ga3Ru2]
_chemical_formula_sum '[Ce4 Ga6 Ru4]'
_cell_volume [271.3399]
_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  0.1446  0.0000  0.7671  1.0
  Ga  Ga1  4  0.1301  0.5000  0.4440  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru3  4  0.1157  0.0000  0.2108  1.0
]