data_Ga2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   7.65
_cell_angle_alpha   23.46
_cell_angle_beta   23.46
_cell_angle_gamma   23.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PIr
_chemical_formula_sum   'Ga2 P1 Ir1'
_cell_volume   62.37
_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  0.0  0.59  1.0
  Ga  Ga1  1  0.0  0.0  0.73  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.16  1.0

data_Ga2PIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2PIr
_chemical_formula_sum   'Ga4 P2 Ir2'
_cell_volume   124.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Ga  Ga1  2  0.0  0.0  0.41  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.84  1.0

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