data_Ta2NbSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.64
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   98.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbSi
_chemical_formula_sum   'Ta2 Nb1 Si1'
_cell_volume   68.83
_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  0.09  0.32  0.02  1.0
  Ta  Ta3  1  0.92  0.0  0.29  1.0
  Nb  Nb0  1  0.97  0.32  0.59  1.0
  Si  Si1  1  0.1  0.0  0.87  1.0

data_Ta2NbSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.64
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   98.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbSi
_chemical_formula_sum   'Ta2 Nb1 Si1'
_cell_volume   68.83
_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  0.09  0.32  0.02  1.0
  Ta  Ta1  1  0.92  0.0  0.29  1.0
  Nb  Nb2  1  0.97  0.32  0.59  1.0
  Si  Si3  1  0.1  0.0  0.87  1.0

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