data_[Pr2Mg6Ir2]
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 [P2_1/m]
_cell_length_a [5.6032]
_cell_length_b [5.9693]
_cell_length_c [7.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrMg3Ir]
_chemical_formula_sum '[Pr2 Mg6 Ir2]'
_cell_volume [232.8431]
_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  0.1000  0.2500  0.3983  1.0
  Mg  Mg1  4  0.4888  0.5014  0.2058  1.0
  Mg  Mg2  2  0.0318  0.2500  0.8844  1.0
  Ir  Ir3  2  0.3273  0.7500  0.4662  1.0
]