data_[Na4Cu8Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9650]
_cell_length_b [4.0959]
_cell_length_c [7.2495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCu2Cl3]
_chemical_formula_sum '[Na4 Cu8 Cl12]'
_cell_volume [581.8663]
_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  0.1664  0.5000  0.0499  1.0
  Cu  Cu1  4  0.0356  0.0000  0.1640  1.0
  Cu  Cu2  4  0.1610  0.5000  0.5477  1.0
  Cl  Cl3  4  0.0746  0.5000  0.3228  1.0
  Cl  Cl4  4  0.0832  0.0000  0.8846  1.0
  Cl  Cl5  4  0.2482  0.5000  0.7687  1.0
]