data_[Rb4In4Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.1822]
_cell_length_b [14.5055]
_cell_length_c [4.4337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [RbInSn4]
_chemical_formula_sum '[Rb4 In4 Sn16]'
_cell_volume [847.7941]
_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  0.0000  0.3050  0.0000  1
  In  In1  4  0.1711  0.0000  0.0000  1
  Sn  Sn2  8  0.2280  0.1481  0.5000  1
  Sn  Sn3  4  0.0000  0.0978  0.5000  1
  Sn  Sn4  4  0.1167  0.5000  0.5000  1
]