data_HfTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2V
_chemical_formula_sum   'Hf1 Tl2 V1'
_cell_volume   82.75
_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
  Hf  Hf0  1  0.07  0.0  0.0  1.0
  Tl  Tl1  1  0.54  0.82  0.54  1.0
  Tl  Tl2  1  0.54  0.18  0.54  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_HfTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   109.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2V
_chemical_formula_sum   'Hf1 Tl2 V1'
_cell_volume   82.75
_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
  Hf  Hf0  1  0.0  0.07  0.0  1.0
  Tl  Tl1  1  0.54  0.54  0.18  1.0
  Tl  Tl2  1  0.54  0.54  0.82  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Hf Tl Tl V
Hf Tl Tl V 0 3 o o o 1 2 o + o 