data_Hf2TlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   141.78
_cell_angle_beta   141.78
_cell_angle_gamma   55.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlV2
_chemical_formula_sum   'Hf2 Tl1 V2'
_cell_volume   102.1
_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  0.11  0.86  1.0
  Hf  Hf1  1  0.11  0.0  0.86  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.69  1.0
  V  V4  1  0.0  0.0  0.75  1.0

data_Hf2TlV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   117.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2TlV2
_chemical_formula_sum   'Hf4 Tl2 V4'
_cell_volume   204.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.3  0.44  0.75  1.0
  Tl  Tl1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.19  0.5  0.69  1.0
  V  V3  2  0.25  0.5  0.75  1.0

Hf Hf Tl V V