data_[Pr4Y6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4329]
_cell_length_b [3.8335]
_cell_length_c [9.1512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y3Ir2]
_chemical_formula_sum '[Pr4 Y6 Ir4]'
_cell_volume [389.4111]
_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  0.1671  0.0000  0.8063  1
  Y  Y1  4  0.1201  0.5000  0.4294  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.1729  0.0000  0.2413  1
]