data_[Pr14Mg4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4378]
_cell_length_b [11.4248]
_cell_length_c [7.5391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr7(MgIr)2]
_chemical_formula_sum '[Pr14 Mg4 Ir4]'
_cell_volume [726.7739]
_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  8  0.2500  0.2500  0.2468  1
  Pr  Pr1  4  0.0000  0.5000  0.2378  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  4  0.1717  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.2860  0.0000  1
]