data_[Mn3Cd3Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8032]
_cell_length_b [2.8032]
_cell_length_c [27.2601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnCdRu2]
_chemical_formula_sum '[Mn3 Cd3 Ru6]'
_cell_volume [185.5076]
_cell_formula_units_Z [3]
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
[
  Mn  Mn0  3  0.0000  0.0000  0.2562  1
  Cd  Cd1  3  0.0000  0.0000  0.4999  1
  Ru  Ru2  3  0.0000  0.0000  0.0012  1
  Ru  Ru3  3  0.0000  0.0000  0.7427  1
]