data_GeAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.34
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   91.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsIr2
_chemical_formula_sum   'Ge1 As1 Ir2'
_cell_volume   63.55
_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  0.0  0.0  1.0
  As  As0  1  0.4  0.0  0.51  1.0
  Ir  Ir2  1  0.07  0.17  0.77  1.0
  Ir  Ir3  1  0.73  0.17  0.25  1.0

data_GeAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.34
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   91.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsIr2
_chemical_formula_sum   'Ge1 As1 Ir2'
_cell_volume   63.55
_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  0.0  0.0  1.0
  As  As1  1  0.4  0.0  0.51  1.0
  Ir  Ir2  1  0.07  0.17  0.77  1.0
  Ir  Ir3  1  0.73  0.17  0.25  1.0

Ge As Ir Ir
Ge As Ir Ir 0 3 - o o 0 2 o o - 1 2 o o o 1 3 o o o 