data_[Sr4Sn6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4321]
_cell_length_b [4.3948]
_cell_length_c [7.8331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Sn3Ir2]
_chemical_formula_sum '[Sr4 Sn6 Ir4]'
_cell_volume [348.4631]
_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
[
  Sr  Sr0  4  0.1462  0.0000  0.7802  1.0
  Sn  Sn1  4  0.1388  0.5000  0.4485  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1263  0.0000  0.2128  1.0
]