data_[Rb3Ca1Sn2I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.8201]
_cell_length_b [8.8201]
_cell_length_c [10.9165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3CaSn2I9]
_chemical_formula_sum '[Rb3 Ca1 Sn2 I9]'
_cell_volume [735.4678]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6216  1
  Rb  Rb1  1  0.0000  0.0000  0.0000  1
  Ca  Ca2  1  0.0000  0.0000  0.5000  1
  Sn  Sn3  2  0.3333  0.6667  0.1619  1
  I  I4  6  0.1670  0.3339  0.3373  1
  I  I5  3  0.0000  0.5000  0.0000  1
]