data_[Pr4Ge8Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1397]
_cell_length_b [4.2908]
_cell_length_c [16.9087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4Ge8Ir]
_chemical_formula_sum '[Pr4 Ge8 Ir1]'
_cell_volume [300.3463]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.1033  1
  Pr  Pr1  1  0.0000  0.5000  0.6077  1
  Pr  Pr2  1  0.5000  0.0000  0.8946  1
  Pr  Pr3  1  0.5000  0.5000  0.3976  1
  Ge  Ge4  1  0.0000  0.0000  0.4600  1
  Ge  Ge5  1  0.0000  0.0000  0.7484  1
  Ge  Ge6  1  0.0000  0.5000  0.2384  1
  Ge  Ge7  1  0.0000  0.5000  0.9490  1
  Ge  Ge8  1  0.5000  0.0000  0.2368  1
  Ge  Ge9  1  0.5000  0.0000  0.5539  1
  Ge  Ge10  1  0.5000  0.5000  0.0451  1
  Ge  Ge11  1  0.5000  0.5000  0.7537  1
  Ir  Ir12  1  0.0000  0.0000  0.3144  1
]