data_[Rb1Cu1H1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8115]
_cell_length_b [5.4952]
_cell_length_c [5.5989]
_cell_angle_alpha [87.6114]
_cell_angle_beta [66.5171]
_cell_angle_gamma [84.4739]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbCuHF6]
_chemical_formula_sum '[Rb1 Cu1 H1 F6]'
_cell_volume [135.1442]
_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  0.8992  0.0045  0.9287  1.0
  Cu  Cu1  1  0.3353  0.4813  0.3416  1.0
  H  H2  1  0.6757  0.5833  0.5992  1.0
  F  F3  1  0.2215  0.7764  0.2458  1.0
  F  F4  1  0.2739  0.3037  0.0843  1.0
  F  F5  1  0.4527  0.2021  0.4652  1.0
  F  F6  1  0.4741  0.6707  0.6168  1.0
  F  F7  1  0.7188  0.5120  0.1220  1.0
  F  F8  1  0.9490  0.4659  0.5964  1.0
]