data_Sn2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.4
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeIr
_chemical_formula_sum   'Sn2 Ge1 Ir1'
_cell_volume   83.76
_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
  Sn  Sn2  1  0.0  0.0  0.49  1.0
  Sn  Sn3  1  0.56  0.7  0.29  1.0
  Ge  Ge0  1  0.0  0.0  0.38  1.0
  Ir  Ir1  1  0.56  0.7  0.61  1.0

data_Sn2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.4
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeIr
_chemical_formula_sum   'Sn2 Ge1 Ir1'
_cell_volume   83.76
_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
  Sn  Sn0  1  0.0  0.0  0.49  1.0
  Sn  Sn1  1  0.56  0.7  0.29  1.0
  Ge  Ge2  1  0.0  0.0  0.38  1.0
  Ir  Ir3  1  0.56  0.7  0.61  1.0

Sn Sn Ge Ir