data_[Pr8Sm4Cu4Te20]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3533]
_cell_length_b [19.3090]
_cell_length_c [13.1143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2SmCuTe5]
_chemical_formula_sum '[Pr8 Sm4 Cu4 Te20]'
_cell_volume [1102.3700]
_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  0.1086  0.6849  1.0
  Pr  Pr1  4  0.0000  0.1229  0.3076  1.0
  Sm  Sm2  4  0.0000  0.1916  0.0094  1.0
  Cu  Cu3  4  0.0000  0.4293  0.4578  1.0
  Te  Te4  4  0.0000  0.0410  0.0625  1.0
  Te  Te5  4  0.0000  0.2867  0.6758  1.0
  Te  Te6  4  0.0000  0.3148  0.3408  1.0
  Te  Te7  4  0.0000  0.3568  0.9991  1.0
  Te  Te8  4  0.0000  0.4997  0.2860  1.0
]