data_AlRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.59
_cell_angle_alpha   99.12
_cell_angle_beta   99.12
_cell_angle_gamma   33.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Ir
_chemical_formula_sum   'Al1 Re2 Ir1'
_cell_volume   58.9
_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
  Re  Re2  1  0.71  0.0  0.39  1.0
  Re  Re3  1  0.85  0.0  0.13  1.0
  Ir  Ir1  1  0.28  0.0  0.26  1.0

data_AlRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.59
_cell_length_c   4.87
_cell_angle_alpha   99.12
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Ir
_chemical_formula_sum   'Al1 Re2 Ir1'
_cell_volume   58.9
_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
  Re  Re1  1  0.0  0.13  0.85  1.0
  Re  Re2  1  0.0  0.39  0.71  1.0
  Ir  Ir3  1  0.0  0.26  0.28  1.0

Al Re Re Ir