data_[Ce6Mg4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0500]
_cell_length_b [4.6871]
_cell_length_c [9.1881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(MgRu2)2]
_chemical_formula_sum '[Ce6 Mg4 Ru8]'
_cell_volume [389.6906]
_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  0.1411  0.5000  0.4037  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1706  0.5000  0.7829  1.0
  Ru  Ru3  4  0.1058  0.0000  0.6339  1.0
  Ru  Ru4  4  0.2450  0.0000  0.9229  1.0
]