data_[Na8Mg4Cu4Br20]
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 [Cmc2_1]
_cell_length_a [4.0094]
_cell_length_b [17.5477]
_cell_length_c [13.6278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2MgCuBr5]
_chemical_formula_sum '[Na8 Mg4 Cu4 Br20]'
_cell_volume [958.7899]
_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  0.0917  0.6603  1.0
  Na  Na1  4  0.0000  0.1207  0.3351  1.0
  Mg  Mg2  4  0.0000  0.2173  0.0296  1.0
  Cu  Cu3  4  0.0000  0.4389  0.4284  1.0
  Br  Br4  4  0.0000  0.0634  0.0321  1.0
  Br  Br5  4  0.0000  0.2760  0.6645  1.0
  Br  Br6  4  0.0000  0.2905  0.3929  1.0
  Br  Br7  4  0.0000  0.3674  0.0084  1.0
  Br  Br8  4  0.0000  0.4991  0.7726  1.0
]