data_[Rb4Sc4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6828]
_cell_length_b [11.6563]
_cell_length_c [9.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbScCuCl5]
_chemical_formula_sum '[Rb4 Sc4 Cu4 Cl20]'
_cell_volume [897.8834]
_cell_formula_units_Z [4]
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  4  0.0000  0.3418  0.2500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3098  0.7500  1.0
  Cl  Cl3  8  0.0946  0.1982  0.5988  1.0
  Cl  Cl4  8  0.2034  0.4318  0.9221  1.0
  Cl  Cl5  4  0.0000  0.0638  0.2500  1.0
]