data_FeTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTeAu2
_chemical_formula_sum   'Fe1 Te1 Au2'
_cell_volume   77.65
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.91  0.0  0.0  1.0
  Au  Au0  1  0.46  0.84  0.54  1.0
  Au  Au1  1  0.46  0.16  0.54  1.0

data_FeTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   111.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTeAu2
_chemical_formula_sum   'Fe1 Te1 Au2'
_cell_volume   77.65
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  -0.0  0.91  0.0  1.0
  Au  Au2  1  0.54  0.46  0.16  1.0
  Au  Au3  1  0.54  0.46  0.84  1.0

Fe Te Au Au
Fe Te Au Au 0 1 - o o 2 3 o + o 