data_TlZn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.74
_cell_angle_alpha   104.28
_cell_angle_beta   104.28
_cell_angle_gamma   47.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Au
_chemical_formula_sum   'Tl1 Zn2 Au1'
_cell_volume   85.79
_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
  Tl  Tl1  1  0.43  0.0  0.76  1.0
  Zn  Zn2  1  0.87  0.0  0.94  1.0
  Zn  Zn3  1  0.98  0.0  0.58  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_TlZn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.59
_cell_length_c   5.74
_cell_angle_alpha   104.28
_cell_angle_beta   90.0
_cell_angle_gamma   113.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Au
_chemical_formula_sum   'Tl1 Zn2 Au1'
_cell_volume   85.79
_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
  Tl  Tl0  1  0.0  0.57  0.24  1.0
  Zn  Zn1  1  0.0  0.02  0.42  1.0
  Zn  Zn2  1  0.0  0.13  0.06  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Tl Zn Zn Au