data_[Na4P4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4199]
_cell_length_b [7.8581]
_cell_length_c [5.5181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaPAu]
_chemical_formula_sum '[Na4 P4 Au4]'
_cell_volume [313.0992]
_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  0.4161  0.5000  0.0863  1.0
  Na  Na1  2  0.4544  0.0000  0.8155  1.0
  P  P2  2  0.1456  0.5000  0.4766  1.0
  P  P3  2  0.3295  0.0000  0.1970  1.0
  Au  Au4  4  0.2373  0.2523  0.3331  1.0
]