data_[Cs2Pr4Sm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2964]
_cell_length_b [4.4706]
_cell_length_c [9.4999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPr2(SmTe2)3]
_chemical_formula_sum '[Cs2 Pr4 Sm6 Te12]'
_cell_volume [829.5852]
_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  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1747  0.0000  0.3510  1.0
  Sm  Sm2  4  0.1629  0.0000  0.8233  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0022  0.0000  0.2792  1.0
  Te  Te5  4  0.1624  0.5000  0.5887  1.0
  Te  Te6  4  0.1780  0.5000  0.0847  1.0
]