data_[Rb8Ba4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  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 [4.5842]
_cell_length_b [20.3014]
_cell_length_c [14.6089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2BaCuBr5]
_chemical_formula_sum '[Rb8 Ba4 Cu4 Br20]'
_cell_volume [1359.5807]
_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  0.1110  0.6888  1.0
  Rb  Rb1  4  0.0000  0.1155  0.3496  1.0
  Ba  Ba2  4  0.0000  0.1873  0.0347  1.0
  Cu  Cu3  4  0.0000  0.4441  0.4112  1.0
  Br  Br4  4  0.0000  0.0324  0.9884  1.0
  Br  Br5  4  0.0000  0.3001  0.6884  1.0
  Br  Br6  4  0.0000  0.3214  0.3769  1.0
  Br  Br7  4  0.0000  0.3433  0.0193  1.0
  Br  Br8  4  0.0000  0.4970  0.7666  1.0
]