data_TaVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   3.17
_cell_angle_alpha   100.34
_cell_angle_beta   100.34
_cell_angle_gamma   105.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVSb2
_chemical_formula_sum   'Ta1 V1 Sb2'
_cell_volume   78.53
_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
  Ta  Ta2  1  0.15  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.11  0.06  0.51  1.0
  Sb  Sb1  1  0.11  0.94  0.51  1.0

data_TaVSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   105.17
_cell_angle_beta   100.34
_cell_angle_gamma   100.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVSb2
_chemical_formula_sum   'Ta1 V1 Sb2'
_cell_volume   78.53
_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
  Ta  Ta0  1  -0.0  0.15  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.51  0.11  0.06  1.0
  Sb  Sb3  1  0.51  0.11  0.94  1.0

Ta V Sb Sb