data_[Na4Mg4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8116]
_cell_length_b [12.4198]
_cell_length_c [6.9978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMg(CuBr3)2]
_chemical_formula_sum '[Na4 Mg4 Cu8 Br24]'
_cell_volume [1099.1032]
_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
[
  Na  Na0  4  0.0000  0.0875  0.2500  1.0
  Mg  Mg1  4  0.0000  0.2676  0.7500  1.0
  Cu  Cu2  8  0.1812  0.4124  0.2985  1.0
  Br  Br3  8  0.1178  0.2611  0.0950  1.0
  Br  Br4  8  0.1223  0.1028  0.6418  1.0
  Br  Br5  8  0.1328  0.4194  0.6222  1.0
]