data_[Pr1Cd1H6Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.8363]
_cell_length_b [4.8363]
_cell_length_c [4.5402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [PrCdH6Ru]
_chemical_formula_sum '[Pr1 Cd1 H6 Ru1]'
_cell_volume [91.9688]
_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
[
  Pr  Pr0  1  0.3333  0.6667  0.5000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  H  H2  6  0.3864  0.1932  0.2780  1.0
  Ru  Ru3  1  0.6667  0.3333  0.0000  1.0
]