data_LaTlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   138.77
_cell_angle_beta   127.04
_cell_angle_gamma   69.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlV2
_chemical_formula_sum   'La1 Tl1 V2'
_cell_volume   90.16
_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  0.0  0.0  0.43  1.0
  Tl  Tl1  1  0.0  0.49  0.41  1.0
  V  V2  1  0.0  0.0  0.29  1.0
  V  V3  1  0.97  0.0  0.06  1.0

data_LaTlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.98
_cell_length_c   5.59
_cell_angle_alpha   116.48
_cell_angle_beta   110.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlV2
_chemical_formula_sum   'La1 Tl1 V2'
_cell_volume   90.16
_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  0.57  0.57  0.57  1.0
  Tl  Tl1  1  0.59  0.08  0.08  1.0
  V  V2  1  0.71  0.71  0.71  1.0
  V  V3  1  0.9  0.94  0.9  1.0

La Tl V V