data_[Cs4Rb4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1266]
_cell_length_b [10.4890]
_cell_length_c [10.7545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbSnSe3]
_chemical_formula_sum '[Cs4 Rb4 Sn4 Se12]'
_cell_volume [1138.8916]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.1942  0.0000  0.1171  1
  Rb  Rb1  4  0.0000  0.2762  0.5000  1
  Sn  Sn2  4  0.1648  0.0000  0.7089  1
  Se  Se3  8  0.1096  0.1980  0.8156  1
  Se  Se4  4  0.2328  0.0000  0.4927  1
]