data_[Cs1Zn1H6Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9983]
_cell_length_b [4.8205]
_cell_length_c [6.5762]
_cell_angle_alpha [83.7155]
_cell_angle_beta [89.6643]
_cell_angle_gamma [65.6682]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsZnH6Ru]
_chemical_formula_sum '[Cs1 Zn1 H6 Ru1]'
_cell_volume [114.6883]
_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  0.0115  0.0741  0.0267  1.0
  Zn  Zn1  1  0.6944  0.7011  0.5425  1.0
  H  H2  1  0.0834  0.5122  0.3272  1.0
  H  H3  1  0.2763  0.5810  0.6769  1.0
  Ru  Ru4  1  0.3871  0.3089  0.5084  1.0
  H  H5  1  0.4959  0.5171  0.3289  1.0
  H  H6  1  0.5241  0.0421  0.3408  1.0
  H  H7  1  0.5423  0.0187  0.7147  1.0
  H  H8  1  0.9849  0.2450  0.5339  1.0
]