data_TaNb2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   131.7
_cell_angle_beta   131.7
_cell_angle_gamma   70.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Si
_chemical_formula_sum   'Ta1 Nb2 Si1'
_cell_volume   67.96
_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  Ta3  1  0.04  0.0  0.04  1.0
  Nb  Nb0  1  0.0  0.0  0.07  1.0
  Nb  Nb1  1  0.0  0.04  0.04  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_TaNb2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   4.99
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Si
_chemical_formula_sum   'Ta1 Nb2 Si1'
_cell_volume   67.96
_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  0.04  0.99  0.99  1.0
  Nb  Nb1  1  0.07  0.07  0.07  1.0
  Nb  Nb2  1  0.99  0.04  0.99  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Nb Nb Si