data_[Pr10Ge10Ir4]
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 [C2/m]
_cell_length_a [15.4623]
_cell_length_b [4.3156]
_cell_length_c [11.6457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Ge5Ir2]
_chemical_formula_sum '[Pr10 Ge10 Ir4]'
_cell_volume [589.2838]
_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  0.1136  0.5000  0.9223  1
  Pr  Pr1  4  0.2029  0.5000  0.3286  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  4  0.0561  0.0000  0.3390  1
  Ge  Ge4  4  0.2496  0.0000  0.1949  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  4  0.1471  0.0000  0.7650  1
]