data_AlCuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   151.64
_cell_angle_beta   151.64
_cell_angle_gamma   40.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuTe
_chemical_formula_sum   'Al1 Cu1 Te1'
_cell_volume   59.25
_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  0.4  1.0
  Cu  Cu1  1  0.0  0.0  0.71  1.0
  Te  Te2  1  0.0  0.0  0.91  1.0

data_AlCuTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   110.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCuTe
_chemical_formula_sum   'Al2 Cu2 Te2'
_cell_volume   118.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.0  0.4  1.0
  Cu  Cu1  2  0.21  0.5  0.71  1.0
  Te  Te2  2  0.41  0.5  0.91  1.0

Al Cu Te
Al Cu Te 0 1 o o o 1 2 o o o 