data_GeTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.26
_cell_angle_alpha   95.8
_cell_angle_beta   95.8
_cell_angle_gamma   36.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe2Au
_chemical_formula_sum   'Ge1 Te2 Au1'
_cell_volume   100.32
_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
  Ge  Ge1  1  0.2  0.0  0.85  1.0
  Te  Te2  1  0.03  0.0  0.94  1.0
  Te  Te3  1  0.92  0.0  0.61  1.0
  Au  Au0  1  0.32  0.0  0.68  1.0

data_GeTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.26
_cell_length_c   5.66
_cell_angle_alpha   95.8
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe2Au
_chemical_formula_sum   'Ge1 Te2 Au1'
_cell_volume   100.32
_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
  Ge  Ge0  1  0.0  0.85  0.2  1.0
  Te  Te1  1  0.0  0.61  0.92  1.0
  Te  Te2  1  0.0  0.94  0.03  1.0
  Au  Au3  1  0.0  0.68  0.32  1.0

Ge Te Te Au