data_Mg2GeB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeB2Ir5
_chemical_formula_sum   'Mg4 Ge2 B4 Ir10'
_cell_volume   264.23
_cell_formula_units_Z   2
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
  Mg  Mg16  1  0.4  0.66  0.0  1.0
  Mg  Mg17  1  0.66  0.08  0.0  1.0
  Mg  Mg18  1  0.83  0.4  0.0  1.0
  Mg  Mg19  1  0.08  0.83  0.0  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.74  0.74  0.0  1.0
  B  B0  1  0.56  0.19  0.0  1.0
  B  B1  1  0.3  0.56  0.0  1.0
  B  B2  1  0.19  0.93  0.0  1.0
  B  B3  1  0.93  0.3  0.0  1.0
  Ir  Ir6  1  0.74  0.0  0.47  1.0
  Ir  Ir7  1  0.02  0.69  0.47  1.0
  Ir  Ir8  1  0.8  0.02  0.47  1.0
  Ir  Ir9  1  0.05  0.72  0.47  1.0
  Ir  Ir10  1  0.77  0.05  0.47  1.0
  Ir  Ir11  1  0.0  0.74  0.47  1.0
  Ir  Ir12  1  0.72  0.43  0.47  1.0
  Ir  Ir13  1  0.43  0.77  0.47  1.0
  Ir  Ir14  1  0.69  0.46  0.47  1.0
  Ir  Ir15  1  0.46  0.8  0.47  1.0

data_Mg2GeB2Ir5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeB2Ir5
_chemical_formula_sum   'Mg4 Ge2 B4 Ir10'
_cell_volume   264.23
_cell_formula_units_Z   2
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
  Mg  Mg0  1  -0.0  0.83  0.4  1.0
  Mg  Mg1  1  -0.0  0.4  0.66  1.0
  Mg  Mg2  1  -0.0  0.08  0.83  1.0
  Mg  Mg3  1  -0.0  0.66  0.08  1.0
  Ge  Ge4  1  -0.0  0.74  0.74  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0
  B  B6  1  -0.0  0.93  0.3  1.0
  B  B7  1  -0.0  0.19  0.93  1.0
  B  B8  1  -0.0  0.3  0.56  1.0
  B  B9  1  -0.0  0.56  0.19  1.0
  Ir  Ir10  1  0.47  -0.0  0.74  1.0
  Ir  Ir11  1  0.47  0.02  0.69  1.0
  Ir  Ir12  1  0.47  0.05  0.72  1.0
  Ir  Ir13  1  0.47  0.43  0.77  1.0
  Ir  Ir14  1  0.47  0.46  0.8  1.0
  Ir  Ir15  1  0.47  0.69  0.46  1.0
  Ir  Ir16  1  0.47  0.72  0.43  1.0
  Ir  Ir17  1  0.47  0.74  0.0  1.0
  Ir  Ir18  1  0.47  0.77  0.05  1.0
  Ir  Ir19  1  0.47  0.8  0.02  1.0

Mg Mg Mg Mg Ge Ge B B B B Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir