data_[Na4Cu12Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1014]
_cell_length_b [4.1813]
_cell_length_c [7.9240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCu3Sb2]
_chemical_formula_sum '[Na4 Cu12 Sb8]'
_cell_volume [497.8210]
_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  0.1538  0.0000  0.0647  1.0
  Cu  Cu1  4  0.0375  0.0000  0.3898  1.0
  Cu  Cu2  4  0.0783  0.5000  0.6249  1.0
  Cu  Cu3  4  0.1959  0.5000  0.4735  1.0
  Sb  Sb4  4  0.0353  0.5000  0.2002  1.0
  Sb  Sb5  4  0.1877  0.0000  0.6894  1.0
]