data_[Th2Zn7Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3451]
_cell_length_b [4.3451]
_cell_length_c [10.2200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Th2Zn7Au]
_chemical_formula_sum '[Th2 Zn7 Au1]'
_cell_volume [192.9510]
_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
[
  Th  Th0  2  0.0000  0.5000  0.2517  1
  Zn  Zn1  2  0.0000  0.5000  0.6260  1
  Zn  Zn2  2  0.0000  0.5000  0.8608  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
  Zn  Zn4  1  0.0000  0.0000  0.5000  1
  Zn  Zn5  1  0.5000  0.5000  0.5000  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
]