data_TaNb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.57
_cell_angle_alpha   108.96
_cell_angle_beta   108.96
_cell_angle_gamma   39.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2As
_chemical_formula_sum   'Ta1 Nb2 As1'
_cell_volume   69.75
_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  0.97  0.0  0.18  1.0
  Nb  Nb1  1  0.95  0.0  0.24  1.0
  Nb  Nb2  1  0.74  0.0  0.08  1.0
  As  As0  1  0.2  0.0  0.22  1.0

data_TaNb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.57
_cell_length_c   5.06
_cell_angle_alpha   108.96
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2As
_chemical_formula_sum   'Ta1 Nb2 As1'
_cell_volume   69.75
_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  0.18  0.97  1.0
  Nb  Nb1  1  0.0  0.08  0.74  1.0
  Nb  Nb2  1  0.0  0.24  0.95  1.0
  As  As3  1  0.0  0.22  0.2  1.0

Ta Nb Nb As
Ta Nb Nb As 0 1 o o o 0 2 o o o 0 3 + o o 1 2 o o o 1 3 + o o 