data_[Th4Zn2Au5]
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 [P2/m]
_cell_length_a [7.7989]
_cell_length_b [3.7358]
_cell_length_c [9.0924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Zn2Au5]
_chemical_formula_sum '[Th4 Zn2 Au5]'
_cell_volume [264.0429]
_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  0.2232  0.5000  0.1362  1
  Th  Th1  2  0.2691  0.5000  0.6348  1
  Zn  Zn2  2  0.0686  0.0000  0.3844  1
  Au  Au3  2  0.1180  0.0000  0.8752  1
  Au  Au4  2  0.4055  0.0000  0.3600  1
  Au  Au5  1  0.5000  0.0000  0.0000  1
]