data_GeIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.3
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Cl
_chemical_formula_sum   'Ge1 Ir2 Cl1'
_cell_volume   63.18
_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  0.47  0.0  0.48  1.0
  Ir  Ir2  1  0.74  0.15  0.26  1.0
  Ir  Ir3  1  0.19  0.15  0.69  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_GeIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.3
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Cl
_chemical_formula_sum   'Ge1 Ir2 Cl1'
_cell_volume   63.18
_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  0.47  0.0  0.48  1.0
  Ir  Ir1  1  0.19  0.15  0.69  1.0
  Ir  Ir2  1  0.74  0.15  0.26  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ge Ir Ir Cl
Ge Ir Ir Cl 0 2 o o o 0 1 o o o 1 3 + o o 2 3 o o + 