data_[Sr4Zn3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5522]
_cell_length_b [4.5987]
_cell_length_c [12.0092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr4Zn3Au]
_chemical_formula_sum '[Sr4 Zn3 Au1]'
_cell_volume [251.4058]
_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  0.8590  1.0
  Sr  Sr1  1  0.0000  0.5000  0.3559  1.0
  Sr  Sr2  1  0.5000  0.0000  0.1381  1.0
  Sr  Sr3  1  0.5000  0.5000  0.6476  1.0
  Zn  Zn4  1  0.0000  0.0000  0.5609  1.0
  Zn  Zn5  1  0.0000  0.5000  0.0611  1.0
  Zn  Zn6  1  0.5000  0.0000  0.4412  1.0
  Au  Au7  1  0.5000  0.5000  0.9362  1.0
]