data_Ta3V2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94
_cell_length_b   10.94
_cell_length_c   10.94
_cell_angle_alpha   15.79
_cell_angle_beta   15.79
_cell_angle_gamma   15.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3V2
_chemical_formula_sum   'Ta3 V2'
_cell_volume   84.55
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.61  1.0
  Ta  Ta2  1  0.0  0.0  0.81  1.0
  V  V3  1  0.0  0.0  0.88  1.0
  V  V4  1  0.0  0.0  0.53  1.0

data_Ta3V2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   99.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta3V2
_chemical_formula_sum   'Ta6 V4'
_cell_volume   169.09
_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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.19  1.0
  Ta  Ta2  2  0.0  0.0  0.39  1.0
  V  V3  2  0.0  0.0  0.12  1.0
  V  V4  2  0.0  0.0  0.47  1.0

Ta Ta Ta V V