data_[Rb1Ca2Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3348]
_cell_length_b [6.0185]
_cell_length_c [8.1304]
_cell_angle_alpha [86.8837]
_cell_angle_beta [76.8088]
_cell_angle_gamma [87.5606]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCa2CuF8]
_chemical_formula_sum '[Rb1 Ca2 Cu1 F8]'
_cell_volume [206.1112]
_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  0.0000  0.5000  1.0
  Ca  Ca1  2  0.3816  0.4776  0.7288  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1286  0.6041  0.2388  1.0
  F  F4  2  0.2003  0.8530  0.8174  1.0
  F  F5  2  0.3048  0.2003  0.9601  1.0
  F  F6  2  0.4826  0.2793  0.4950  1.0
]