data_AlPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   4.91
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   39.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPIr2
_chemical_formula_sum   'Al1 P1 Ir2'
_cell_volume   56.06
_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
  P  P3  1  0.54  0.0  0.41  1.0
  Ir  Ir1  1  0.31  0.0  0.57  1.0
  Ir  Ir2  1  0.78  0.0  0.24  1.0

data_AlPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.28
_cell_length_c   4.91
_cell_angle_alpha   100.69
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPIr2
_chemical_formula_sum   'Al1 P1 Ir2'
_cell_volume   56.06
_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
  P  P1  1  0.0  0.46  0.59  1.0
  Ir  Ir2  1  0.0  0.22  0.76  1.0
  Ir  Ir3  1  0.0  0.69  0.43  1.0

Al P Ir Ir