data_[Sr4Sn4Ir4]
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 [12.6177]
_cell_length_b [4.5031]
_cell_length_c [5.8120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSnIr]
_chemical_formula_sum '[Sr4 Sn4 Ir4]'
_cell_volume [324.1920]
_cell_formula_units_Z [4]
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  0.1235  0.0000  0.3326  1.0
  Sn  Sn1  4  0.0921  0.5000  0.8206  1.0
  Ir  Ir2  4  0.2094  0.0000  0.8902  1.0
]