data_[Nd4Tl6Sn2Te12]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8634]
_cell_length_b [4.5030]
_cell_length_c [9.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Tl3SnTe6]
_chemical_formula_sum '[Nd4 Tl6 Sn2 Te12]'
_cell_volume [865.0648]
_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  0.1668  0.0000  0.3352  1.0
  Tl  Tl1  4  0.1682  0.0000  0.8393  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0061  0.0000  0.2327  1.0
  Te  Te5  4  0.1591  0.5000  0.1001  1.0
  Te  Te6  4  0.1729  0.5000  0.5721  1.0
]