data_[Rb2Ga2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8708]
_cell_length_b [4.2343]
_cell_length_c [10.4278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbGaSnSe3]
_chemical_formula_sum '[Rb2 Ga2 Sn2 Se6]'
_cell_volume [424.2845]
_cell_formula_units_Z [2]
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  0.1684  0.2500  0.1911  1.0
  Ga  Ga1  2  0.0836  0.2500  0.6178  1.0
  Sn  Sn2  2  0.3741  0.7500  0.8556  1.0
  Se  Se3  2  0.1299  0.2500  0.8467  1.0
  Se  Se4  2  0.1637  0.7500  0.5132  1.0
  Se  Se5  2  0.4158  0.7500  0.1217  1.0
]