data_[Ce12Ga4Ru8]
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 [15.1996]
_cell_length_b [4.6432]
_cell_length_c [7.9076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3GaRu2]
_chemical_formula_sum '[Ce12 Ga4 Ru8]'
_cell_volume [540.0512]
_cell_formula_units_Z [4]
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  0.0800  0.0000  0.7122  1.0
  Ce  Ce1  4  0.0984  0.5000  0.3829  1.0
  Ce  Ce2  4  0.2347  0.0000  0.1842  1.0
  Ga  Ga3  4  0.0862  0.5000  0.9779  1.0
  Ru  Ru4  4  0.0604  0.0000  0.1551  1.0
  Ru  Ru5  4  0.1960  0.0000  0.5536  1.0
]