data_Al2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   139.47
_cell_angle_beta   125.77
_cell_angle_gamma   69.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeMo
_chemical_formula_sum   'Al2 Te1 Mo1'
_cell_volume   71.48
_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  0.0  0.1  1.0
  Al  Al1  1  0.79  0.0  0.07  1.0
  Te  Te3  1  0.0  0.36  0.18  1.0
  Mo  Mo2  1  0.0  0.0  0.12  1.0

data_Al2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.71
_cell_length_c   5.17
_cell_angle_alpha   117.12
_cell_angle_beta   110.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeMo
_chemical_formula_sum   'Al2 Te1 Mo1'
_cell_volume   71.48
_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  0.72  0.93  0.72  1.0
  Al  Al1  1  0.9  0.9  0.9  1.0
  Te  Te2  1  0.82  0.17  0.17  1.0
  Mo  Mo3  1  0.88  0.88  0.88  1.0

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