data_[Nd8Tl2Ge2Te4]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.3127]
_cell_length_b [6.3127]
_cell_length_c [12.6469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Nd4TlGeTe2]
_chemical_formula_sum '[Nd8 Tl2 Ge2 Te4]'
_cell_volume [503.9777]
_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
[
  Nd  Nd0  4  0.0000  0.0000  0.2485  1.0
  Nd  Nd1  4  0.0000  0.5000  0.5100  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge3  2  0.0000  0.5000  0.7500  1.0
  Te  Te4  2  0.0000  0.0000  0.0000  1.0
  Te  Te5  2  0.0000  0.5000  0.2500  1.0
]