data_[Ba2Pr4Nd6Te12]
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
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1738]
_cell_length_b [4.5721]
_cell_length_c [9.1960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPr2(NdTe2)3]
_chemical_formula_sum '[Ba2 Pr4 Nd6 Te12]'
_cell_volume [820.9160]
_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  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1717  0.0000  0.3436  1.0
  Nd  Nd2  4  0.1634  0.0000  0.8218  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0027  0.0000  0.2661  1.0
  Te  Te5  4  0.1642  0.5000  0.5829  1.0
  Te  Te6  4  0.1735  0.5000  0.0835  1.0
]