data_[Pr6Ge14Ir4]
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 [Cmmm]
_cell_length_a [4.3849]
_cell_length_b [26.3667]
_cell_length_c [4.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr3Ge7Ir2]
_chemical_formula_sum '[Pr6 Ge14 Ir4]'
_cell_volume [505.9757]
_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
[
  Pr  Pr0  4  0.0000  0.1816  0.0000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  4  0.0000  0.0845  0.5000  1.0
  Ge  Ge3  4  0.0000  0.2759  0.5000  1.0
  Ge  Ge4  4  0.0000  0.4156  0.0000  1.0
  Ge  Ge5  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir6  4  0.0000  0.3684  0.5000  1.0
]