data_[Rb4Sn16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [18.4095]
_cell_length_b [8.6244]
_cell_length_c [5.5296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSn4Ir]
_chemical_formula_sum '[Rb4 Sn16 Ir4]'
_cell_volume [837.8387]
_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
[
  Rb  Rb0  4  0.1939  0.0000  0.1871  1.0
  Sn  Sn1  8  0.0982  0.2987  0.5845  1.0
  Sn  Sn2  4  0.0000  0.2199  0.0000  1.0
  Sn  Sn3  4  0.1392  0.5000  0.1536  1.0
  Ir  Ir4  4  0.0080  0.5000  0.7565  1.0
]