data_[Tl2V2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2/m]
_cell_length_a [4.0414]
_cell_length_b [19.7526]
_cell_length_c [5.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlVSe]
_chemical_formula_sum '[Tl2 V2 Se2]'
_cell_volume [440.4415]
_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
[
  Tl  Tl0  2  0.0000  0.4219  0.5000  1
  V  V1  2  0.0000  0.4425  0.0000  1
  Se  Se2  2  0.5000  0.3797  0.0000  1
]