data_[Sn4As1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4837]
_cell_length_b [4.0606]
_cell_length_c [8.3665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sn4AsAu2]
_chemical_formula_sum '[Sn4 As1 Au2]'
_cell_volume [176.9308]
_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
[
  Sn  Sn0  2  0.0615  0.0000  0.7100  1
  Sn  Sn1  2  0.2885  0.5000  0.1644  1
  As  As2  1  0.5000  0.0000  0.0000  1
  Au  Au3  2  0.2770  0.5000  0.5453  1
]