data_AlTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.56
_cell_angle_alpha   109.05
_cell_angle_beta   109.05
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Ir
_chemical_formula_sum   'Al1 Te2 Ir1'
_cell_volume   88.44
_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  0.2  0.01  0.9  1.0
  Te  Te3  1  0.2  0.99  0.9  1.0
  Ir  Ir1  1  0.92  0.0  0.0  1.0

data_AlTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   107.35
_cell_angle_beta   109.05
_cell_angle_gamma   109.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Ir
_chemical_formula_sum   'Al1 Te2 Ir1'
_cell_volume   88.44
_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  0.9  0.2  0.01  1.0
  Te  Te2  1  0.9  0.2  0.99  1.0
  Ir  Ir3  1  0.0  0.92  0.0  1.0

Al Te Te Ir