data_TeMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   150.37
_cell_angle_beta   134.93
_cell_angle_gamma   54.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMoAs2
_chemical_formula_sum   'Te1 Mo1 As2'
_cell_volume   87.72
_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
  Te  Te3  1  0.0  0.0  0.61  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.62  0.0  0.04  1.0
  As  As1  1  0.0  0.42  0.57  1.0

data_TeMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.84
_cell_length_c   6.32
_cell_angle_alpha   112.54
_cell_angle_beta   104.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMoAs2
_chemical_formula_sum   'Te1 Mo1 As2'
_cell_volume   87.72
_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
  Te  Te0  1  0.0  0.61  0.61  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.04  0.42  1.0
  As  As3  1  0.58  0.15  0.15  1.0

Te Mo As As
Te Mo As As 0 3 o o o 0 2 - o o 0 2 o o + 0 1 o o + 1 3 o o o 1 3 o - - 1 2 - o o 2 3 + o o 
MoAs2Te crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 3-coordinate geometry to two equivalent As(2) and one Te(1) atom. There is one shorter (1.84 Å) and one longer (1.87 Å) Mo(1)-As(2) bond length. The Mo(1)-Te(1) bond length is 2.48 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one As(2) and two equivalent Te(1) atoms. The As(1)-As(2) bond length is 2.15 Å. There is one shorter (2.55 Å) and one longer (2.75 Å) As(1)-Te(1) bond length. In the second As site, As(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1), one As(1), and one Te(1) atom. The As(2)-Te(1) bond length is 2.87 Å. Te(1) is bonded in a 4-coordinate geometry to one Mo(1), one As(2), and two equivalent As(1) atoms.