data_[Na4Cu8O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4973]
_cell_length_b [8.9044]
_cell_length_c [5.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCu2O3]
_chemical_formula_sum '[Na4 Cu8 O12]'
_cell_volume [245.3955]
_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  0.1682  0.5000  1
  Cu  Cu1  4  0.0000  0.3354  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Cu  Cu3  2  0.0000  0.5000  0.5000  1
  O  O4  8  0.2276  0.1540  0.1950  1
  O  O5  4  0.1830  0.5000  0.2641  1
]