data_[Na4V4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3662]
_cell_length_b [3.0240]
_cell_length_c [19.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaVZn]
_chemical_formula_sum '[Na4 V4 Zn4]'
_cell_volume [261.8896]
_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  2  0.0000  0.0000  0.3952  1
  Na  Na1  2  0.5000  0.0000  0.0329  1
  V  V2  2  0.5000  0.0000  0.2629  1
  V  V3  2  0.5000  0.0000  0.6747  1
  Zn  Zn4  2  0.0000  0.0000  0.1528  1
  Zn  Zn5  2  0.0000  0.0000  0.7638  1
]