data_ZrTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.27
_cell_angle_alpha   91.3
_cell_angle_beta   91.3
_cell_angle_gamma   108.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2V
_chemical_formula_sum   'Zr1 Tl2 V1'
_cell_volume   87.31
_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
  Zr  Zr3  1  0.1  0.0  0.0  1.0
  Tl  Tl0  1  0.49  0.15  0.63  1.0
  Tl  Tl1  1  0.49  0.85  0.63  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_ZrTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   108.46
_cell_angle_beta   91.3
_cell_angle_gamma   91.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2V
_chemical_formula_sum   'Zr1 Tl2 V1'
_cell_volume   87.31
_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
  Zr  Zr0  1  0.0  0.1  0.0  1.0
  Tl  Tl1  1  0.63  0.49  0.15  1.0
  Tl  Tl2  1  0.63  0.49  0.85  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Zr Tl Tl V