data_Ta2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.41
_cell_angle_alpha   110.04
_cell_angle_beta   110.04
_cell_angle_gamma   38.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VSi
_chemical_formula_sum   'Ta2 V1 Si1'
_cell_volume   63.12
_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  Ta1  1  0.34  0.0  0.01  1.0
  Ta  Ta2  1  0.05  0.0  0.07  1.0
  V  V3  1  0.91  0.0  0.97  1.0
  Si  Si0  1  0.67  0.0  0.11  1.0

data_Ta2VSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.41
_cell_length_c   4.95
_cell_angle_alpha   110.04
_cell_angle_beta   109.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VSi
_chemical_formula_sum   'Ta2 V1 Si1'
_cell_volume   63.12
_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  0.01  0.34  1.0
  Ta  Ta1  1  0.0  0.07  0.05  1.0
  V  V2  1  0.0  0.97  0.91  1.0
  Si  Si3  1  0.0  0.11  0.67  1.0

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