data_[Ba8Li1Ag2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7686]
_cell_length_b [9.8164]
_cell_length_c [8.0007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8LiAg2Ir]
_chemical_formula_sum '[Ba8 Li1 Ag2 Ir1]'
_cell_volume [610.1037]
_cell_formula_units_Z [1]
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  4  0.2315  0.2210  0.1623  1
  Ba  Ba1  2  0.2391  0.0000  0.6896  1
  Ba  Ba2  2  0.2681  0.5000  0.6491  1
  Li  Li3  1  0.0000  0.5000  0.0000  1
  Ag  Ag4  2  0.5000  0.2372  0.5000  1
  Ir  Ir5  1  0.0000  0.0000  0.0000  1
]