data_[Na4Cu4Sb12]
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 [Cmcm]
_cell_length_a [7.5441]
_cell_length_b [10.0123]
_cell_length_c [7.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaCuSb3]
_chemical_formula_sum '[Na4 Cu4 Sb12]'
_cell_volume [532.8717]
_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  0.2631  0.2500  1.0
  Cu  Cu1  4  0.0000  0.1109  0.7500  1.0
  Sb  Sb2  8  0.2172  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3703  0.7500  1.0
]