data_[Cs1Cd1H6Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P1]
_cell_length_a [4.2315]
_cell_length_b [5.1104]
_cell_length_c [6.5075]
_cell_angle_alpha [95.7488]
_cell_angle_beta [90.2856]
_cell_angle_gamma [113.6697]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsCdH6Ru]
_chemical_formula_sum '[Cs1 Cd1 H6 Ru1]'
_cell_volume [128.0791]
_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
[
  Cs  Cs0  1  0.0202  0.9478  0.0355  1.0
  Cd  Cd1  1  0.6966  0.2933  0.5550  1.0
  H  H2  1  0.0282  0.7680  0.5195  1.0
  H  H3  1  0.0972  0.5209  0.3168  1.0
  H  H4  1  0.2767  0.4302  0.6806  1.0
  Ru  Ru5  1  0.3770  0.6879  0.5066  1.0
  H  H6  1  0.4770  0.4908  0.3243  1.0
  H  H7  1  0.5049  0.9321  0.7284  1.0
  H  H8  1  0.5221  0.9288  0.3334  1.0
]