data_Re2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.72
_cell_angle_alpha   95.99
_cell_angle_beta   95.99
_cell_angle_gamma   34.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeIr
_chemical_formula_sum   'Re2 Ge1 Ir1'
_cell_volume   60.09
_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
  Re  Re2  1  0.08  0.0  0.12  1.0
  Re  Re3  1  0.65  0.0  0.06  1.0
  Ge  Ge0  1  0.32  0.0  0.42  1.0
  Ir  Ir1  1  0.01  0.0  0.44  1.0

data_Re2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.72
_cell_length_c   4.78
_cell_angle_alpha   95.99
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeIr
_chemical_formula_sum   'Re2 Ge1 Ir1'
_cell_volume   60.09
_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
  Re  Re0  1  0.0  0.06  0.65  1.0
  Re  Re1  1  0.0  0.12  0.08  1.0
  Ge  Ge2  1  0.0  0.42  0.32  1.0
  Ir  Ir3  1  0.0  0.44  0.01  1.0

Re Re Ge Ir