data_[Ba2Pr8Te10]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6101]
_cell_length_b [6.5174]
_cell_length_c [23.1010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BaPr4Te5]
_chemical_formula_sum '[Ba2 Pr8 Te10]'
_cell_volume [694.1007]
_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  2  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.0000  0.0000  0.2066  1
  Pr  Pr2  4  0.0000  0.0000  0.3979  1
  Te  Te3  4  0.0000  0.5000  0.1980  1
  Te  Te4  4  0.0000  0.5000  0.3913  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
]