data_[Ba4Ag3Ir1]
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 [Pm]
_cell_length_a [6.5292]
_cell_length_b [4.7982]
_cell_length_c [8.6585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba4Ag3Ir]
_chemical_formula_sum '[Ba4 Ag3 Ir1]'
_cell_volume [271.2531]
_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  1  0.1199  0.5000  0.6932  1
  Ba  Ba1  1  0.3742  0.5000  0.1691  1
  Ba  Ba2  1  0.6436  0.0000  0.8384  1
  Ba  Ba3  1  0.8670  0.0000  0.2957  1
  Ag  Ag4  1  0.1230  0.0000  0.9673  1
  Ag  Ag5  1  0.3801  0.0000  0.4685  1
  Ag  Ag6  1  0.6156  0.5000  0.5352  1
  Ir  Ir7  1  0.8767  0.5000  0.0326  1
]