data_AlBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.55
_cell_angle_alpha   101.63
_cell_angle_beta   101.63
_cell_angle_gamma   39.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiIr2
_chemical_formula_sum   'Al1 Bi1 Ir2'
_cell_volume   71.14
_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
  Bi  Bi1  1  0.7  0.0  0.71  1.0
  Ir  Ir2  1  0.04  0.0  0.11  1.0
  Ir  Ir3  1  0.36  0.0  0.31  1.0

data_AlBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.56
_cell_length_c   5.55
_cell_angle_alpha   101.63
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiIr2
_chemical_formula_sum   'Al1 Bi1 Ir2'
_cell_volume   71.14
_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
  Bi  Bi1  1  0.0  0.3  0.29  1.0
  Ir  Ir2  1  0.0  0.64  0.69  1.0
  Ir  Ir3  1  0.0  0.96  0.89  1.0

Al Bi Ir Ir