data_[Rb4Mg4Zn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4254]
_cell_length_b [12.3778]
_cell_length_c [9.8449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbMgZnBr5]
_chemical_formula_sum '[Rb4 Mg4 Zn4 Br20]'
_cell_volume [1056.7868]
_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  0.3454  0.7500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.3097  0.2500  1.0
  Br  Br3  8  0.1087  0.2014  0.1060  1.0
  Br  Br4  8  0.1928  0.4262  0.4341  1.0
  Br  Br5  4  0.0000  0.0691  0.7500  1.0
]