data_FeTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   4.29
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   91.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe2Au
_chemical_formula_sum   'Fe1 Te2 Au1'
_cell_volume   94.7
_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  Fe1  1  0.91  0.0  0.63  1.0
  Te  Te2  1  0.74  0.14  0.37  1.0
  Te  Te3  1  0.86  0.0  0.26  1.0
  Au  Au0  1  0.99  0.14  0.37  1.0

data_FeTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.29
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   91.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe2Au
_chemical_formula_sum   'Fe1 Te2 Au1'
_cell_volume   94.7
_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  0.91  0.0  0.63  1.0
  Te  Te1  1  0.74  0.14  0.37  1.0
  Te  Te2  1  0.86  0.0  0.26  1.0
  Au  Au3  1  0.99  0.14  0.37  1.0

Fe Te Te Au