data_Ga2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.29
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PIr
_chemical_formula_sum   'Ga2 P1 Ir1'
_cell_volume   61.88
_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
  Ga  Ga0  1  0.0  0.15  0.39  1.0
  Ga  Ga1  1  0.51  0.15  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.51  0.0  0.39  1.0

data_Ga2PIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.29
_cell_length_b   3.02
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ga2PIr
_chemical_formula_sum   'Ga2 P1 Ir1'
_cell_volume   61.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ga  Ga0  1  0.15  0.0  0.39  1.0
  Ga  Ga1  1  0.15  0.5  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.5  0.39  1.0

Ga Ga P Ir
Ga Ga P Ir 0 3 - o o 0 3 o o o 1 2 o o o 1 2 + o o 