data_TaVSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVSi2
_chemical_formula_sum   'Ta1 V1 Si2'
_cell_volume   58.09
_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  0.0  0.0  0.76  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Si  Si0  1  0.71  0.0  0.77  1.0
  Si  Si1  1  0.71  0.0  0.74  1.0

data_TaVSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVSi2
_chemical_formula_sum   'Ta1 V1 Si2'
_cell_volume   58.09
_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  0.76  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.71  0.0  0.74  1.0
  Si  Si3  1  0.71  0.0  0.77  1.0

Ta V Si Si
Ta V Si Si 0 3 - o o 0 2 - o o 0 1 o o + 1 3 - o - 1 2 - o - 2 3 o o o 