data_TaInAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInAs2
_chemical_formula_sum   'Ta1 In1 As2'
_cell_volume   79.85
_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  0.0  0.0  0.47  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.7  0.7  0.84  1.0
  As  As1  1  0.7  0.7  0.1  1.0

data_TaInAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInAs2
_chemical_formula_sum   'Ta2 In2 As4'
_cell_volume   159.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.47  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.2  0.5  0.1  1.0
  As  As3  2  0.2  0.5  0.84  1.0

Ta In As As
Ta In As As 0 3 - - o 0 3 - o o 0 3 o - o 0 2 - - o 0 2 - o o 0 2 o - o 0 0 + o o 0 0 o + o 0 1 o o o 0 1 o o + 1 2 - - - 1 3 - - o 2 3 o o + 
TaInAs2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a distorted bent 120 degrees geometry to one As(1) and one As(2) atom. The Ta(1)-As(1) bond length is 2.97 Å. The Ta(1)-As(2) bond length is 2.97 Å. In(1) is bonded in a 2-coordinate geometry to one As(2) and three equivalent As(1) atoms. The In(1)-As(2) bond length is 1.61 Å. There is one shorter (1.82 Å) and two longer (2.80 Å) In(1)-As(1) bond lengths. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one Ta(1), three equivalent In(1), and one As(2) atom. The As(1)-As(2) bond length is 1.77 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Ta(1), one In(1), and one As(1) atom.