data_[K1H2Ru1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0599]
_cell_length_b [7.3306]
_cell_length_c [9.1447]
_cell_angle_alpha [76.5115]
_cell_angle_beta [87.4645]
_cell_angle_gamma [67.5509]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH2RuBr8]
_chemical_formula_sum '[K1 H2 Ru1 Br8]'
_cell_volume [424.8074]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.2587  0.4699  0.3452  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1802  0.7388  0.8556  1.0
  Br  Br4  2  0.2345  0.1713  0.9127  1.0
  Br  Br5  2  0.2473  0.7830  0.2250  1.0
  Br  Br6  2  0.3212  0.2788  0.4623  1.0
]