data_[Na8Li4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  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 [3.9428]
_cell_length_b [20.5011]
_cell_length_c [12.2599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiCuBr5]
_chemical_formula_sum '[Na8 Li4 Cu4 Br20]'
_cell_volume [990.9804]
_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  0.1302  0.3284  1
  Na  Na1  4  0.0000  0.1627  0.6815  1
  Li  Li2  4  0.0000  0.2092  0.0310  1
  Cu  Cu3  4  0.0000  0.4448  0.4274  1
  Br  Br4  4  0.0000  0.0358  0.0338  1
  Br  Br5  4  0.0000  0.3052  0.6730  1
  Br  Br6  4  0.0000  0.3301  0.3678  1
  Br  Br7  4  0.0000  0.3352  0.0062  1
  Br  Br8  4  0.0000  0.4850  0.7749  1
]