data_[Pr4Sm8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3599]
_cell_length_b [14.6236]
_cell_length_c [15.3012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr(SmTe2)2]
_chemical_formula_sum '[Pr4 Sm8 Te16]'
_cell_volume [975.5640]
_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
[
  Pr  Pr0  4  0.0000  0.3747  0.2500  1.0
  Sm  Sm1  8  0.0000  0.1321  0.0684  1.0
  Te  Te2  8  0.0000  0.2232  0.6218  1.0
  Te  Te3  4  0.0000  0.0355  0.2500  1.0
  Te  Te4  4  0.0000  0.5000  0.0000  1.0
]