data_[Na1Mn2Au1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3253]
_cell_length_b [7.3253]
_cell_length_c [7.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaMn2AuCl8]
_chemical_formula_sum '[Na1 Mn2 Au1 Cl8]'
_cell_volume [353.1649]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.3333  0.6667  0.1990  1.0
  Au  Au2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  6  0.1606  0.3212  0.2844  1.0
  Cl  Cl4  2  0.3333  0.6667  0.9127  1.0
]