data_[Ce2Ga4Ru2]
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 [P2_1/m]
_cell_length_a [4.4248]
_cell_length_b [7.0412]
_cell_length_c [5.0652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeGa2Ru]
_chemical_formula_sum '[Ce2 Ga4 Ru2]'
_cell_volume [150.5633]
_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  2  0.0417  0.7500  0.1528  1.0
  Ga  Ga1  4  0.4007  0.5542  0.7225  1.0
  Ru  Ru2  2  0.1307  0.2500  0.3887  1.0
]