data_AlTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeAu2
_chemical_formula_sum   'Al1 Te1 Au2'
_cell_volume   85.81
_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  0.84  0.0  0.42  1.0
  Te  Te3  1  0.01  1.0  0.61  1.0
  Au  Au1  1  0.36  1.0  0.15  1.0
  Au  Au2  1  0.7  0.0  0.29  1.0

data_AlTeAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlTeAu2
_chemical_formula_sum   'Al1 Te1 Au2'
_cell_volume   85.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.84  0.0  0.42  1.0
  Te  Te1  1  0.01  0.0  0.61  1.0
  Au  Au2  1  0.36  0.0  0.15  1.0
  Au  Au3  1  0.7  0.0  0.29  1.0

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