data_[Rb8Li4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2154]
_cell_length_b [20.4747]
_cell_length_c [14.0018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2LiCuBr5]
_chemical_formula_sum '[Rb8 Li4 Cu4 Br20]'
_cell_volume [1208.4856]
_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  0.1286  0.3214  1.0
  Rb  Rb1  4  0.0000  0.1330  0.6900  1.0
  Li  Li2  4  0.0000  0.2168  0.0460  1.0
  Cu  Cu3  4  0.0000  0.4366  0.4282  1.0
  Br  Br4  4  0.0000  0.0390  0.0105  1.0
  Br  Br5  4  0.0000  0.3010  0.6567  1.0
  Br  Br6  4  0.0000  0.3222  0.3894  1.0
  Br  Br7  4  0.0000  0.3366  0.0048  1.0
  Br  Br8  4  0.0000  0.4932  0.2770  1.0
]