data_TaMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoAs2
_chemical_formula_sum   'Ta1 Mo1 As2'
_cell_volume   64.09
_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  0.2  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.58  0.58  0.85  1.0
  As  As1  1  0.58  0.58  0.55  1.0

data_TaMoAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMoAs2
_chemical_formula_sum   'Ta2 Mo2 As4'
_cell_volume   128.18
_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  0.2  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.08  0.5  0.55  1.0
  As  As3  2  0.08  0.5  0.85  1.0

Ta Mo As As
Ta Mo As As 0 1 o o o 1 2 - - - 2 3 o o o 
TaMoAs2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a single-bond geometry to one Mo(1) and four equivalent As(2) atoms. The Ta(1)-Mo(1) bond length is 1.28 Å. There are a spread of Ta(1)-As(2) bond distances ranging from 2.90-3.42 Å. Mo(1) is bonded in a single-bond geometry to one Ta(1) and four equivalent As(1) atoms. There are a spread of Mo(1)-As(1) bond distances ranging from 2.09-2.77 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one As(2) atom. The As(1)-As(2) bond length is 1.97 Å. In the second As site, As(2) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one As(1) atom.