data_[Cs1Rb1Cu2Cl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7919]
_cell_length_b [4.7919]
_cell_length_c [10.2399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CsRbCu2Cl5]
_chemical_formula_sum '[Cs1 Rb1 Cu2 Cl5]'
_cell_volume [235.1278]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.5000  0.5000  0.2605  1.0
  Cl  Cl3  4  0.0000  0.5000  0.2228  1.0
  Cl  Cl4  1  0.5000  0.5000  0.5000  1.0
]