data_[Rb6Pt12Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5556]
_cell_length_b [7.5556]
_cell_length_c [20.6700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [RbPt2Se3]
_chemical_formula_sum '[Rb6 Pt12 Se18]'
_cell_volume [1021.8914]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1995  1.0
  Pt  Pt1  9  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  3  0.0000  0.0000  0.0000  1.0
  Se  Se3  18  0.0088  0.5044  0.2740  1.0
]