data_[Sr2Sn1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8611]
_cell_length_b [4.8833]
_cell_length_c [8.5314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2SnAu3]
_chemical_formula_sum '[Sr2 Sn1 Au3]'
_cell_volume [160.8579]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5223  1.0
  Sr  Sr1  1  0.0000  0.5000  0.9783  1.0
  Sn  Sn2  1  0.5000  0.5000  0.3244  1.0
  Au  Au3  1  0.5000  0.0000  0.1769  1.0
  Au  Au4  1  0.5000  0.0000  0.8388  1.0
  Au  Au5  1  0.5000  0.5000  0.6593  1.0
]