data_[Pr4Cu2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4535]
_cell_length_b [4.0177]
_cell_length_c [10.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr2CuIr]
_chemical_formula_sum '[Pr4 Cu2 Ir2]'
_cell_volume [192.6644]
_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  2  0.0000  0.0000  0.8603  1.0
  Pr  Pr1  2  0.5000  0.0000  0.1374  1.0
  Cu  Cu2  2  0.5000  0.0000  0.4280  1.0
  Ir  Ir3  2  0.0000  0.0000  0.5744  1.0
]