data_[La1Zr1Al1Tl1V1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1832]
_cell_length_b [5.8735]
_cell_length_c [6.4274]
_cell_angle_alpha [81.3187]
_cell_angle_beta [76.3038]
_cell_angle_gamma [77.6285]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaZrAlTlV]
_chemical_formula_sum '[La1 Zr1 Al1 Tl1 V1]'
_cell_volume [113.4030]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0103  0.2243  0.2974  1
  Zr  Zr1  1  0.4679  0.5028  0.7658  1
  Al  Al2  1  0.2039  0.0536  0.7586  1
  Tl  Tl3  1  0.6482  0.7540  0.1081  1
  V  V4  1  0.9161  0.8079  0.5027  1
]