data_[Pr2Sm4Tl6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8894]
_cell_length_b [13.6642]
_cell_length_c [8.6007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSm2(TlTe2)3]
_chemical_formula_sum '[Pr2 Sm4 Tl6 Te12]'
_cell_volume [882.7576]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.3332  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1655  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2422  0.1689  0.2196  1.0
  Te  Te5  4  0.2350  0.5000  0.2186  1.0
]