data_[Ba4Ag2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5348]
_cell_length_b [4.6533]
_cell_length_c [9.0454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2AgIr]
_chemical_formula_sum '[Ba4 Ag2 Ir2]'
_cell_volume [275.0385]
_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
[
  Ba  Ba0  2  0.1243  0.7500  0.6679  1
  Ba  Ba1  2  0.3820  0.7500  0.1921  1
  Ag  Ag2  2  0.1175  0.2500  0.9632  1
  Ir  Ir3  2  0.4431  0.2500  0.4834  1
]