data_[Rb16Zn4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.6004]
_cell_length_b [8.4492]
_cell_length_c [16.2458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Rb4ZnBr6]
_chemical_formula_sum '[Rb16 Zn4 Br24]'
_cell_volume [2113.0050]
_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  0.0288  0.2897  0.8044  1
  Rb  Rb1  4  0.1556  0.1550  0.1652  1
  Rb  Rb2  4  0.2979  0.3557  0.6269  1
  Rb  Rb3  4  0.3678  0.8267  0.4527  1
  Zn  Zn4  4  0.0884  0.2358  0.4032  1
  Br  Br5  4  0.0029  0.2997  0.2468  1
  Br  Br6  4  0.0211  0.0157  0.4509  1
  Br  Br7  4  0.0787  0.4696  0.4910  1
  Br  Br8  4  0.2030  0.2087  0.7566  1
  Br  Br9  4  0.2379  0.1917  0.4181  1
  Br  Br10  4  0.3382  0.2586  0.1384  1
]