data_[Rb1Zr1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4996]
_cell_length_b [8.0873]
_cell_length_c [8.8933]
_cell_angle_alpha [66.3337]
_cell_angle_beta [72.1905]
_cell_angle_gamma [74.1020]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbZr(HCl4)2]
_chemical_formula_sum '[Rb1 Zr1 H2 Cl8]'
_cell_volume [401.4653]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.2891  0.7886  0.6531  1.0
  Cl  Cl3  2  0.1426  0.0417  0.6947  1.0
  Cl  Cl4  2  0.1852  0.6806  0.0752  1.0
  Cl  Cl5  2  0.3195  0.1273  0.9948  1.0
  Cl  Cl6  2  0.3746  0.6329  0.6252  1.0
]