data_[Rb2Sn1P2Se6]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.1394]
_cell_length_b [7.1394]
_cell_length_c [7.8702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Rb2Sn(PSe3)2]
_chemical_formula_sum '[Rb2 Sn1 P2 Se6]'
_cell_volume [347.4063]
_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  0.6405  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  P  P2  2  0.3333  0.6667  0.0902  1.0
  Se  Se3  6  0.1463  0.8049  0.2293  1.0
]