data_TaNbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbAs
_chemical_formula_sum   'Ta1 Nb1 As1'
_cell_volume   55.54
_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  0.69  0.98  0.82  1.0
  Nb  Nb1  1  0.0  0.95  0.79  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TaNbAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbAs
_chemical_formula_sum   'Ta1 Nb1 As1'
_cell_volume   55.54
_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  0.69  0.98  0.82  1.0
  Nb  Nb1  1  0.0  0.95  0.79  1.0
  As  As2  1  0.0  0.0  0.0  1.0

Ta Nb As
Ta Nb As 0 1 + o o 0 2 + + + 1 2 o + + 