data_GaPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.55
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPIr2
_chemical_formula_sum   'Ga1 P1 Ir2'
_cell_volume   59.09
_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  0.91  0.28  0.32  1.0
  P  P3  1  0.51  0.0  0.01  1.0
  Ir  Ir1  1  0.89  0.0  0.07  1.0
  Ir  Ir2  1  0.41  0.28  0.26  1.0

data_GaPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.55
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPIr2
_chemical_formula_sum   'Ga1 P1 Ir2'
_cell_volume   59.09
_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  0.91  0.28  0.32  1.0
  P  P1  1  0.51  0.0  0.01  1.0
  Ir  Ir2  1  0.41  0.28  0.26  1.0
  Ir  Ir3  1  0.89  0.0  0.07  1.0

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