data_Ta3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   9.06
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3V
_chemical_formula_sum   'Ta12 V4'
_cell_volume   279.36
_cell_formula_units_Z   4
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  0.09  0.27  0.78  1.0
  Ta  Ta1  1  0.3  0.21  0.03  1.0
  Ta  Ta2  1  0.3  0.32  0.03  1.0
  Ta  Ta3  1  0.49  0.74  0.78  1.0
  Ta  Ta4  1  0.49  0.85  0.78  1.0
  Ta  Ta5  1  0.71  0.8  0.02  1.0
  Ta  Ta6  1  0.89  0.27  0.48  1.0
  Ta  Ta7  1  0.1  0.21  0.72  1.0
  Ta  Ta8  1  0.1  0.32  0.72  1.0
  Ta  Ta9  1  0.29  0.74  0.47  1.0
  Ta  Ta10  1  0.29  0.85  0.47  1.0
  Ta  Ta11  1  0.51  0.8  0.73  1.0
  V  V12  1  0.32  0.8  0.48  1.0
  V  V13  1  0.48  0.27  0.73  1.0
  V  V14  1  0.12  0.8  0.78  1.0
  V  V15  1  0.28  0.27  0.03  1.0

data_Ta3V
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.5
_cell_length_b   5.6
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3V
_chemical_formula_sum   'Ta12 V4'
_cell_volume   279.36
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.99  0.71  1.0
  Ta  Ta1  2  0.22  0.99  0.82  1.0
  Ta  Ta2  2  0.23  0.59  0.23  1.0
  Ta  Ta3  2  0.47  0.8  0.18  1.0
  Ta  Ta4  2  0.47  0.8  0.29  1.0
  Ta  Ta5  2  0.48  0.21  0.77  1.0
  V  V6  2  0.23  0.02  0.77  1.0
  V  V7  2  0.47  0.18  0.23  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta V V V V
Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta V V V V 0 7 o o o 0 8 o o o 0 6 - o o 0 13 o o o 1 15 o o o 1 13 o o - 2 15 o o o 2 13 o o - 3 11 o o o 3 5 o o + 3 14 o o o 4 11 o o o 4 5 o o + 4 14 o o o 5 11 o o - 6 7 + o o 6 8 + o o 7 13 o o o 8 13 o o o 9 12 o o o 9 14 o o o 10 12 o o o 10 14 o o o 11 14 o o o 12 14 o o o 13 15 o o + 