data_YTlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   142.74
_cell_angle_beta   128.83
_cell_angle_gamma   64.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlV2
_chemical_formula_sum   'Y1 Tl1 V2'
_cell_volume   83.83
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl0  1  0.0  0.0  0.76  1.0
  V  V1  1  0.0  0.44  0.34  1.0
  V  V2  1  0.8  0.0  0.43  1.0

data_YTlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.88
_cell_length_c   5.65
_cell_angle_alpha   115.58
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlV2
_chemical_formula_sum   'Y1 Tl1 V2'
_cell_volume   83.83
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.24  0.24  0.24  1.0
  V  V2  1  0.38  0.57  0.38  1.0
  V  V3  1  0.66  0.1  0.1  1.0

Y Tl V V
Y Tl V V 0 2 o o o 0 1 o o - 1 3 - o o 