data_TaNbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.0
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbAs2
_chemical_formula_sum   'Ta1 Nb1 As2'
_cell_volume   71.0
_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  0.68  0.0  0.01  1.0
  Nb  Nb2  1  0.0  0.5  0.16  1.0
  As  As0  1  0.68  0.5  0.11  1.0
  As  As1  1  0.0  0.0  0.06  1.0

data_TaNbAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.36
_cell_length_b   5.0
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaNbAs2
_chemical_formula_sum   'Ta1 Nb1 As2'
_cell_volume   71.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.68  0.0  0.01  1.0
  Nb  Nb1  1  0.0  0.5  0.16  1.0
  As  As2  1  0.0  0.0  0.06  1.0
  As  As3  1  0.68  0.5  0.11  1.0

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