data_[Ba2La6Nd4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  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 [20.1147]
_cell_length_b [4.5904]
_cell_length_c [9.2480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLa3(NdTe3)2]
_chemical_formula_sum '[Ba2 La6 Nd4 Te12]'
_cell_volume [830.6946]
_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
  La  La1  4  0.1640  0.0000  0.8293  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.1707  0.0000  0.3407  1.0
  Te  Te4  4  0.0042  0.0000  0.2643  1.0
  Te  Te5  4  0.1662  0.5000  0.5809  1.0
  Te  Te6  4  0.1725  0.5000  0.0909  1.0
]