data_[La2Sn8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [4.5729]
_cell_length_b [7.2026]
_cell_length_c [9.4341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaSn4Ir]
_chemical_formula_sum '[La2 Sn8 Ir2]'
_cell_volume [301.9388]
_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
[
  La  La0  2  0.1234  0.2500  0.2376  1.0
  Sn  Sn1  4  0.3108  0.0323  0.6214  1.0
  Sn  Sn2  2  0.0653  0.7500  0.1276  1.0
  Sn  Sn3  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir4  2  0.2071  0.7500  0.4136  1.0
]