data_MnGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   147.58
_cell_angle_beta   130.31
_cell_angle_gamma   60.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeIr2
_chemical_formula_sum   'Mn1 Ge1 Ir2'
_cell_volume   57.23
_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
  Mn  Mn3  1  0.0  0.0  0.61  1.0
  Ge  Ge0  1  0.0  0.19  0.25  1.0
  Ir  Ir1  1  0.0  0.0  0.82  1.0
  Ir  Ir2  1  0.45  0.0  0.32  1.0

data_MnGeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.38
_cell_length_c   5.21
_cell_angle_alpha   114.84
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeIr2
_chemical_formula_sum   'Mn1 Ge1 Ir2'
_cell_volume   57.23
_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
  Mn  Mn0  1  0.39  0.39  0.39  1.0
  Ge  Ge1  1  0.75  0.94  0.94  1.0
  Ir  Ir2  1  0.14  0.68  0.14  1.0
  Ir  Ir3  1  0.18  0.18  0.18  1.0

Mn Ge Ir Ir