data_[Nd4Tl6V2Se12]
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
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2245]
_cell_length_b [12.4185]
_cell_length_c [8.1075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Tl3VSe6]
_chemical_formula_sum '[Nd4 Tl6 V2 Se12]'
_cell_volume [693.1501]
_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  0.3343  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1740  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2170  0.1501  0.1994  1.0
  Se  Se5  4  0.2336  0.0000  0.7904  1.0
]