data_[Na4Mg4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [15.2936]
_cell_length_b [3.1899]
_cell_length_c [5.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaMgZn]
_chemical_formula_sum '[Na4 Mg4 Zn4]'
_cell_volume [275.8377]
_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  0.3340  0.0000  0.6039  1
  Mg  Mg1  4  0.1419  0.0000  0.2833  1
  Zn  Zn2  2  0.0000  0.0000  0.6158  1
  Zn  Zn3  2  0.5000  0.0000  0.2766  1
]