data_[Cd1P4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.0620]
_cell_length_b [7.0620]
_cell_length_c [3.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Cd(P2Ru3)2]
_chemical_formula_sum '[Cd1 P4 Ru6]'
_cell_volume [154.0510]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.3333  0.6667  0.0000  1.0
  P  P1  3  0.1422  0.2844  0.5000  1.0
  P  P2  1  0.6667  0.3333  0.0000  1.0
  Ru  Ru3  3  0.2592  0.1296  0.0000  1.0
  Ru  Ru4  3  0.5259  0.0517  0.5000  1.0
]