data_GaGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   149.4
_cell_angle_beta   136.6
_cell_angle_gamma   54.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeIr2
_chemical_formula_sum   'Ga1 Ge1 Ir2'
_cell_volume   61.24
_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  0.02  1.0
  Ge  Ge1  1  0.0  0.07  0.7  1.0
  Ir  Ir2  1  0.0  0.0  0.77  1.0
  Ir  Ir3  1  0.48  0.0  0.48  1.0

data_GaGeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.15
_cell_length_c   5.61
_cell_angle_alpha   111.7
_cell_angle_beta   105.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeIr2
_chemical_formula_sum   'Ga1 Ge1 Ir2'
_cell_volume   61.24
_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  0.02  0.02  1.0
  Ge  Ge1  1  0.93  0.63  0.63  1.0
  Ir  Ir2  1  0.0  0.48  0.0  1.0
  Ir  Ir3  1  0.0  0.77  0.77  1.0

Ga Ge Ir Ir