data_Ta2V3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2V3Si
_chemical_formula_sum   'Ta4 V6 Si2'
_cell_volume   177.74
_cell_formula_units_Z   2
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  0.48  0.43  0.67  1.0
  Ta  Ta1  1  0.0  0.86  0.7  1.0
  Ta  Ta2  1  0.0  0.86  0.85  1.0
  Ta  Ta3  1  0.48  0.43  0.52  1.0
  V  V4  1  0.48  0.83  0.28  1.0
  V  V5  1  0.27  0.73  0.28  1.0
  V  V6  1  0.69  0.73  0.28  1.0
  V  V7  1  0.0  0.46  0.09  1.0
  V  V8  1  0.21  0.56  0.09  1.0
  V  V9  1  0.79  0.56  0.09  1.0
  Si  Si10  1  0.0  0.0  0.0  1.0
  Si  Si11  1  0.0  0.0  0.19  1.0

data_Ta2V3Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2V3Si
_chemical_formula_sum   'Ta4 V6 Si2'
_cell_volume   177.74
_cell_formula_units_Z   2
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  0.86  0.7  1.0
  Ta  Ta1  1  0.0  0.86  0.85  1.0
  Ta  Ta2  1  0.48  0.43  0.52  1.0
  Ta  Ta3  1  0.48  0.43  0.67  1.0
  V  V4  1  0.0  0.46  0.09  1.0
  V  V5  1  0.21  0.56  0.09  1.0
  V  V6  1  0.27  0.73  0.28  1.0
  V  V7  1  0.48  0.83  0.28  1.0
  V  V8  1  0.69  0.73  0.28  1.0
  V  V9  1  0.79  0.56  0.09  1.0
  Si  Si10  1  0.0  0.0  0.0  1.0
  Si  Si11  1  0.0  0.0  0.19  1.0

Ta Ta Ta Ta V V V V V V Si Si