data_[Ba2Sn2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1321]
_cell_length_b [4.6730]
_cell_length_c [7.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSnIr2]
_chemical_formula_sum '[Ba2 Sn2 Ir4]'
_cell_volume [217.7349]
_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  0.1136  0.2500  0.7653  1
  Sn  Sn1  2  0.3808  0.2500  0.2229  1
  Ir  Ir2  2  0.3930  0.7500  0.0755  1
  Ir  Ir3  2  0.4499  0.7500  0.4486  1
]