data_Ta3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.52
_cell_angle_alpha   90.09
_cell_angle_beta   90.09
_cell_angle_gamma   89.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3V
_chemical_formula_sum   'Ta12 V4'
_cell_volume   275.35
_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  0.92  0.26  0.02  1.0
  Ta  Ta1  1  0.91  0.25  0.24  1.0
  Ta  Ta2  1  0.6  0.32  0.87  1.0
  Ta  Ta3  1  0.6  0.33  0.65  1.0
  Ta  Ta4  1  0.93  0.0  0.87  1.0
  Ta  Ta5  1  0.92  0.74  0.02  1.0
  Ta  Ta6  1  0.91  0.75  0.24  1.0
  Ta  Ta7  1  0.64  0.0  0.03  1.0
  Ta  Ta8  1  0.27  0.0  0.87  1.0
  Ta  Ta9  1  0.27  0.0  0.65  1.0
  Ta  Ta10  1  0.6  0.68  0.87  1.0
  Ta  Ta11  1  0.6  0.67  0.65  1.0
  V  V12  1  0.19  0.0  0.03  1.0
  V  V13  1  0.18  0.0  0.23  1.0
  V  V14  1  0.95  0.0  0.65  1.0
  V  V15  1  0.62  0.0  0.25  1.0

data_Ta3V
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta3V
_chemical_formula_sum   'Ta12 V4'
_cell_volume   275.36
_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  0.6  0.32  0.87  1.0
  Ta  Ta1  2  0.6  0.33  0.65  1.0
  Ta  Ta2  2  0.91  0.25  0.24  1.0
  Ta  Ta3  2  0.92  0.26  0.02  1.0
  Ta  Ta4  1  0.27  0.0  0.87  1.0
  Ta  Ta5  1  0.27  0.0  0.65  1.0
  Ta  Ta6  1  0.64  0.0  0.03  1.0
  Ta  Ta7  1  0.93  0.0  0.87  1.0
  V  V8  1  0.18  0.0  0.23  1.0
  V  V9  1  0.19  0.0  0.03  1.0
  V  V10  1  0.62  0.0  0.25  1.0
  V  V11  1  0.95  0.0  0.65  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 1 o o o 2 3 o o o 4 14 o o o 5 6 o o o 7 15 o o o 8 12 o o + 8 9 o o o 10 11 o o o 12 13 o o o 