data_[Ba6Pr4Y2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0749]
_cell_length_b [13.9604]
_cell_length_c [8.3266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Pr2YTe6]
_chemical_formula_sum '[Ba6 Pr4 Y2 Te12]'
_cell_volume [888.2760]
_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
[
  Ba  Ba0  4  0.0000  0.1700  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.3346  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2360  0.1625  0.2217  1
  Te  Te5  4  0.2493  0.0000  0.7748  1
]