data_Ge2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   152.31
_cell_angle_beta   138.96
_cell_angle_gamma   50.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsIr
_chemical_formula_sum   'Ge2 As1 Ir1'
_cell_volume   73.23
_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
  Ge  Ge1  1  0.0  0.18  0.22  1.0
  Ge  Ge2  1  0.49  0.0  0.42  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.64  1.0

data_Ge2AsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.36
_cell_length_c   6.22
_cell_angle_alpha   110.52
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsIr
_chemical_formula_sum   'Ge2 As1 Ir1'
_cell_volume   73.23
_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
  Ge  Ge0  1  0.0  0.42  0.93  1.0
  Ge  Ge1  1  0.82  0.03  0.03  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.64  0.64  1.0

Ge Ge As Ir