data_TaNb2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.64
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   98.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Si
_chemical_formula_sum   'Ta1 Nb2 Si1'
_cell_volume   68.11
_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  0.24  0.32  0.88  1.0
  Nb  Nb0  1  0.1  0.0  0.15  1.0
  Nb  Nb1  1  0.92  0.32  0.29  1.0
  Si  Si2  1  0.04  0.0  0.56  1.0

data_TaNb2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.64
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   98.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Si
_chemical_formula_sum   'Ta1 Nb2 Si1'
_cell_volume   68.11
_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  0.24  0.32  0.88  1.0
  Nb  Nb1  1  0.1  0.0  0.15  1.0
  Nb  Nb2  1  0.92  0.32  0.29  1.0
  Si  Si3  1  0.04  0.0  0.56  1.0

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