data_[Nd12Tl2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6620]
_cell_length_b [4.2012]
_cell_length_c [13.2146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6TlTe3]
_chemical_formula_sum '[Nd12 Tl2 Te6]'
_cell_volume [676.9626]
_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  2  0.0760  0.2500  0.8908  1.0
  Nd  Nd1  2  0.1200  0.7500  0.4653  1.0
  Nd  Nd2  2  0.2007  0.2500  0.2519  1.0
  Nd  Nd3  2  0.2564  0.2500  0.7118  1.0
  Nd  Nd4  2  0.3981  0.7500  0.0935  1.0
  Nd  Nd5  2  0.4943  0.7500  0.6475  1.0
  Tl  Tl6  2  0.0441  0.7500  0.6911  1.0
  Te  Te7  2  0.1508  0.7500  0.0690  1.0
  Te  Te8  2  0.3304  0.2500  0.4976  1.0
  Te  Te9  2  0.4109  0.7500  0.8557  1.0
]