data_[Rb2Cu2Si2F12]
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
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6043]
_cell_length_b [9.9095]
_cell_length_c [5.5045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbCuSiF6]
_chemical_formula_sum '[Rb2 Cu2 Si2 F12]'
_cell_volume [305.4728]
_cell_formula_units_Z [2]
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  2  0.0000  0.9838  0.5000  1.0
  Cu  Cu1  2  0.0000  0.3160  0.0000  1.0
  Si  Si2  2  0.0000  0.6643  0.0000  1.0
  F  F3  4  0.1681  0.5453  0.8645  1.0
  F  F4  4  0.1743  0.7949  0.8665  1.0
  F  F5  4  0.1909  0.6758  0.2489  1.0
]