data_[Cs2Sm2Zn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8239]
_cell_length_b [4.2487]
_cell_length_c [10.3281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSmZnSe3]
_chemical_formula_sum '[Cs2 Sm2 Zn2 Se6]'
_cell_volume [402.9106]
_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
[
  Cs  Cs0  2  0.2138  0.2500  0.2422  1.0
  Sm  Sm1  2  0.3304  0.7500  0.8601  1.0
  Zn  Zn2  2  0.0827  0.2500  0.6105  1.0
  Se  Se3  2  0.1199  0.2500  0.8570  1.0
  Se  Se4  2  0.1872  0.7500  0.5405  1.0
  Se  Se5  2  0.4727  0.7500  0.1573  1.0
]