data_LiTlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.79
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlV2
_chemical_formula_sum   'Li1 Tl1 V2'
_cell_volume   65.15
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.9  0.0  0.36  1.0
  V  V2  1  0.95  0.39  0.77  1.0
  V  V3  1  0.86  0.39  0.95  1.0

data_LiTlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.79
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlV2
_chemical_formula_sum   'Li1 Tl1 V2'
_cell_volume   65.15
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.9  0.0  0.36  1.0
  V  V2  1  0.86  0.39  0.95  1.0
  V  V3  1  0.95  0.39  0.77  1.0

Li Tl V V