data_[Ba4Pr4Ge8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [11.6035]
_cell_length_b [4.4135]
_cell_length_c [11.5065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPrGe2Ir]
_chemical_formula_sum '[Ba4 Pr4 Ge8 Ir4]'
_cell_volume [514.4905]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.1767  0.0000  0.6009  1
  Pr  Pr1  4  0.0000  0.0000  0.8450  1
  Ge  Ge2  4  0.0084  0.5000  0.6716  1
  Ge  Ge3  4  0.1622  0.5000  0.0727  1
  Ir  Ir4  4  0.2236  0.5000  0.8907  1
]