data_[Nd6Tl2Te2]
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 [8.7358]
_cell_length_b [4.1575]
_cell_length_c [9.2540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3TlTe]
_chemical_formula_sum '[Nd6 Tl2 Te2]'
_cell_volume [321.9582]
_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  0.1017  0.7500  0.2219  1.0
  Nd  Nd1  2  0.3202  0.7500  0.9470  1.0
  Nd  Nd2  2  0.3513  0.2500  0.5743  1.0
  Tl  Tl3  2  0.0805  0.7500  0.6173  1.0
  Te  Te4  2  0.3916  0.2500  0.2305  1.0
]