data_[Cs4Sm4Cd4Te4Se8]
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
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4232]
_cell_length_b [16.9806]
_cell_length_c [11.7657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsSmCdTeSe2]
_chemical_formula_sum '[Cs4 Sm4 Cd4 Te4 Se8]'
_cell_volume [883.7006]
_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  0.0000  0.2684  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Cd  Cd2  4  0.0000  0.0252  0.2500  1
  Te  Te3  4  0.0000  0.4186  0.2500  1
  Se  Se4  8  0.0000  0.1092  0.0600  1
]