data_[Rb2Zn2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zn  1.6500  1.3500  0.8800
  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 [9.7514]
_cell_length_b [4.0767]
_cell_length_c [10.0273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZnSnSe3]
_chemical_formula_sum '[Rb2 Zn2 Sn2 Se6]'
_cell_volume [379.5239]
_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  0.1978  0.2500  0.2390  1.0
  Zn  Zn1  2  0.0827  0.2500  0.6065  1.0
  Sn  Sn2  2  0.3406  0.7500  0.8707  1.0
  Se  Se3  2  0.1303  0.2500  0.8638  1.0
  Se  Se4  2  0.1886  0.7500  0.5280  1.0
  Se  Se5  2  0.4615  0.7500  0.1565  1.0
]