data_[Pr4Ni2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8733]
_cell_length_b [4.1730]
_cell_length_c [8.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2NiIr]
_chemical_formula_sum '[Pr4 Ni2 Ir2]'
_cell_volume [185.6278]
_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  0.2170  0.7500  0.4315  1.0
  Pr  Pr1  2  0.2197  0.7500  0.9276  1.0
  Ni  Ni2  2  0.3553  0.2500  0.2122  1.0
  Ir  Ir3  2  0.3530  0.2500  0.7151  1.0
]