data_[Ce10Mg2Ru12]
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 [15.2165]
_cell_length_b [6.7146]
_cell_length_c [4.6613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5MgRu6]
_chemical_formula_sum '[Ce10 Mg2 Ru12]'
_cell_volume [464.8592]
_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  0.1549  0.0000  0.6274  1
  Ce  Ce1  4  0.1772  0.5000  0.6253  1
  Ce  Ce2  2  0.0000  0.5000  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  8  0.1593  0.2522  0.1073  1
  Ru  Ru5  4  0.0000  0.2665  0.5000  1
]