data_AlTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.64
_cell_angle_alpha   95.25
_cell_angle_beta   95.25
_cell_angle_gamma   59.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeAu2
_chemical_formula_sum   'Al1 Te1 Au2'
_cell_volume   90.91
_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
  Al  Al0  1  0.88  0.0  0.03  1.0
  Te  Te3  1  0.95  0.0  0.82  1.0
  Au  Au1  1  0.37  0.0  0.85  1.0
  Au  Au2  1  0.72  0.0  0.71  1.0

data_AlTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.34
_cell_length_c   5.64
_cell_angle_alpha   95.25
_cell_angle_beta   90.0
_cell_angle_gamma   119.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeAu2
_chemical_formula_sum   'Al1 Te1 Au2'
_cell_volume   90.91
_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
  Al  Al0  1  0.0  0.12  0.97  1.0
  Te  Te1  1  0.0  0.05  0.18  1.0
  Au  Au2  1  0.0  0.28  0.29  1.0
  Au  Au3  1  0.0  0.63  0.15  1.0

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