data_TlV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   8.89
_cell_angle_alpha   22.03
_cell_angle_beta   22.03
_cell_angle_gamma   22.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Bi
_chemical_formula_sum   'Tl1 V2 Bi1'
_cell_volume   86.65
_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
  Tl  Tl1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.5  1.0
  V  V3  1  0.0  0.0  0.51  1.0
  Bi  Bi0  1  0.0  0.0  0.01  1.0

data_TlV2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   3.4
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   102.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlV2Bi
_chemical_formula_sum   'Tl2 V4 Bi2'
_cell_volume   173.31
_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
  Tl  Tl0  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.49  1.0
  V  V2  2  0.0  0.0  0.5  1.0
  Bi  Bi3  2  0.0  0.0  0.99  1.0

Tl V V Bi
Tl V V Bi 0 3 o o o 1 2 o o o 