data_AlTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.94
_cell_angle_alpha   110.59
_cell_angle_beta   110.59
_cell_angle_gamma   54.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlTe2
_chemical_formula_sum   'Al1 Tl1 Te2'
_cell_volume   116.4
_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  0.0  1.0
  Tl  Tl3  1  0.35  0.0  0.65  1.0
  Te  Te1  1  0.06  0.0  0.69  1.0
  Te  Te2  1  0.64  0.0  0.61  1.0

data_AlTlTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.42
_cell_length_c   7.61
_cell_angle_alpha   77.68
_cell_angle_beta   74.5
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlTe2
_chemical_formula_sum   'Al1 Tl1 Te2'
_cell_volume   116.4
_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  0.0  1.0
  Tl  Tl1  1  0.0  0.7  0.65  1.0
  Te  Te2  1  0.0  0.03  0.61  1.0
  Te  Te3  1  0.0  0.37  0.69  1.0

Al Tl Te Te