data_Ga2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   125.96
_cell_angle_beta   125.96
_cell_angle_gamma   79.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsIr
_chemical_formula_sum   'Ga2 As1 Ir1'
_cell_volume   65.2
_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  Ga1  1  0.0  0.13  0.8  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.59  1.0
  Ir  Ir3  1  0.13  0.0  0.8  1.0

data_Ga2AsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.69
_cell_angle_alpha   117.02
_cell_angle_beta   117.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsIr
_chemical_formula_sum   'Ga2 As1 Ir1'
_cell_volume   65.2
_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  0.0  1.0
  Ga  Ga1  1  0.67  0.8  0.67  1.0
  As  As2  1  0.59  0.59  0.59  1.0
  Ir  Ir3  1  0.8  0.67  0.67  1.0

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