data_[Sn2Ir14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.7802]
_cell_length_b [2.7802]
_cell_length_c [43.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [SnIr7]
_chemical_formula_sum '[Sn2 Ir14]'
_cell_volume [336.9294]
_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
[
  Sn  Sn0  2  0.0000  0.5000  0.1653  1
  Ir  Ir1  2  0.0000  0.5000  0.2587  1
  Ir  Ir2  2  0.0000  0.5000  0.3463  1
  Ir  Ir3  2  0.0000  0.5000  0.4340  1
  Ir  Ir4  2  0.0000  0.5000  0.5221  1
  Ir  Ir5  2  0.0000  0.5000  0.6097  1
  Ir  Ir6  2  0.0000  0.5000  0.6978  1
  Ir  Ir7  2  0.0000  0.5000  0.7852  1
]