data_[Na8Li4Cu4Br16]
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 [Imma]
_cell_length_a [8.5678]
_cell_length_b [8.8025]
_cell_length_c [10.8162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Na2LiCuBr4]
_chemical_formula_sum '[Na8 Li4 Cu4 Br16]'
_cell_volume [815.7422]
_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  0.0000  0.0000  1
  Na  Na1  4  0.2500  0.2500  0.7500  1
  Li  Li2  4  0.0000  0.0000  0.5000  1
  Cu  Cu3  4  0.2500  0.2500  0.2500  1
  Br  Br4  8  0.0000  0.0249  0.7350  1
  Br  Br5  8  0.2474  0.2500  0.4661  1
]