data_[Rb1Hf1Cu2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2902]
_cell_length_b [7.0012]
_cell_length_c [8.5793]
_cell_angle_alpha [73.4849]
_cell_angle_beta [81.7561]
_cell_angle_gamma [86.1412]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbHf(CuCl4)2]
_chemical_formula_sum '[Rb1 Hf1 Cu2 Cl8]'
_cell_volume [358.3533]
_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
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.4970  0.0207  0.3209  1.0
  Cl  Cl3  2  0.1175  0.9987  0.2657  1.0
  Cl  Cl4  2  0.1604  0.3191  0.8681  1.0
  Cl  Cl5  2  0.3419  0.8197  0.9308  1.0
  Cl  Cl6  2  0.4989  0.7483  0.5325  1.0
]