data_[Nd4Tl4Zn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7841]
_cell_length_b [4.5407]
_cell_length_c [9.3896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTlZnTe3]
_chemical_formula_sum '[Nd4 Tl4 Zn4 Te12]'
_cell_volume [818.7630]
_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
[
  Nd  Nd0  4  0.1741  0.0000  0.5880  1
  Tl  Tl1  4  0.1327  0.0000  0.0738  1
  Zn  Zn2  4  0.0307  0.5000  0.7237  1
  Te  Te3  4  0.1638  0.5000  0.3554  1
  Te  Te4  4  0.1691  0.5000  0.8187  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]