data_AlTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.92
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   55.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Au
_chemical_formula_sum   'Al1 Te2 Au1'
_cell_volume   102.05
_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  0.94  0.0  0.11  1.0
  Te  Te2  1  0.17  0.0  0.5  1.0
  Te  Te3  1  0.48  0.0  0.6  1.0
  Au  Au1  1  0.38  0.0  0.88  1.0

data_AlTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.29
_cell_length_c   6.92
_cell_angle_alpha   101.98
_cell_angle_beta   90.0
_cell_angle_gamma   117.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Au
_chemical_formula_sum   'Al1 Te2 Au1'
_cell_volume   102.05
_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  0.06  0.89  1.0
  Te  Te1  1  0.0  0.52  0.4  1.0
  Te  Te2  1  0.0  0.83  0.5  1.0
  Au  Au3  1  0.0  0.62  0.12  1.0

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