data_[Pr8Y4Cu4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  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 [4.3180]
_cell_length_b [19.0840]
_cell_length_c [13.0200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2YCuTe5]
_chemical_formula_sum '[Pr8 Y4 Cu4 Te20]'
_cell_volume [1072.9009]
_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  0.1090  0.6860  1.0
  Pr  Pr1  4  0.0000  0.1242  0.3070  1.0
  Y  Y2  4  0.0000  0.1910  0.0097  1.0
  Cu  Cu3  4  0.0000  0.4287  0.4579  1.0
  Te  Te4  4  0.0000  0.0418  0.0625  1.0
  Te  Te5  4  0.0000  0.2859  0.6719  1.0
  Te  Te6  4  0.0000  0.3121  0.3433  1.0
  Te  Te7  4  0.0000  0.3547  0.9993  1.0
  Te  Te8  4  0.0000  0.4997  0.2865  1.0
]