data_[Al2Tl2V2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6028]
_cell_length_b [4.1927]
_cell_length_c [10.4161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlTlVTe3]
_chemical_formula_sum '[Al2 Tl2 V2 Te6]'
_cell_volume [347.4373]
_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
[
  Al  Al0  2  0.0345  0.2500  0.6524  1
  Tl  Tl1  2  0.4942  0.2500  0.2665  1
  V  V2  2  0.0470  0.7500  0.8464  1
  Te  Te3  2  0.1591  0.7500  0.1344  1
  Te  Te4  2  0.1799  0.2500  0.4570  1
  Te  Te5  2  0.2969  0.2500  0.8840  1
]