data_AlTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   157.23
_cell_angle_beta   149.56
_cell_angle_gamma   38.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Ir
_chemical_formula_sum   'Al1 Te2 Ir1'
_cell_volume   95.52
_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
  Te  Te2  1  0.0  0.07  0.31  1.0
  Te  Te3  1  0.55  0.0  0.13  1.0
  Ir  Ir1  1  0.0  0.0  0.44  1.0

data_AlTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.13
_cell_length_c   7.87
_cell_angle_alpha   105.22
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Ir
_chemical_formula_sum   'Al1 Te2 Ir1'
_cell_volume   95.52
_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
  Te  Te1  1  0.0  0.13  0.58  1.0
  Te  Te2  1  0.93  0.24  0.24  1.0
  Ir  Ir3  1  0.0  0.44  0.44  1.0

Al Te Te Ir
Al Te Te Ir 0 1 o o o 1 3 o o o 2 3 + o o 