data_Al2CrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.91
_cell_angle_alpha   94.27
_cell_angle_beta   94.27
_cell_angle_gamma   40.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrTe
_chemical_formula_sum   'Al2 Cr1 Te1'
_cell_volume   83.58
_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  0.91  0.0  0.29  1.0
  Al  Al1  1  0.58  0.0  0.08  1.0
  Cr  Cr2  1  0.07  0.0  0.49  1.0
  Te  Te3  1  0.2  0.0  0.86  1.0

data_Al2CrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.68
_cell_length_c   5.91
_cell_angle_alpha   94.27
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrTe
_chemical_formula_sum   'Al2 Cr1 Te1'
_cell_volume   83.58
_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  0.71  1.0
  Al  Al1  1  0.0  0.42  0.92  1.0
  Cr  Cr2  1  0.0  0.93  0.51  1.0
  Te  Te3  1  0.0  0.8  0.14  1.0

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