data_Al2CrTe
_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   136.56
_cell_angle_beta   126.52
_cell_angle_gamma   71.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrTe
_chemical_formula_sum   'Al2 Cr1 Te1'
_cell_volume   74.67
_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  0.09  1.0
  Al  Al1  1  0.91  0.0  0.17  1.0
  Cr  Cr2  1  0.0  0.0  0.1  1.0
  Te  Te3  1  0.0  0.32  0.04  1.0

data_Al2CrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.65
_cell_length_c   5.17
_cell_angle_alpha   116.74
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrTe
_chemical_formula_sum   'Al2 Cr1 Te1'
_cell_volume   74.67
_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  0.09  0.09  1.0
  Al  Al1  1  0.0  0.17  0.26  1.0
  Cr  Cr2  1  0.0  0.1  0.1  1.0
  Te  Te3  1  0.68  0.72  0.72  1.0

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