data_TiZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnAs
_chemical_formula_sum   'Ti1 Zn1 As1'
_cell_volume   48.2
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.25  0.3  0.38  1.0
  As  As0  1  1.0  0.59  0.38  1.0

data_TiZnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnAs
_chemical_formula_sum   'Ti1 Zn1 As1'
_cell_volume   48.2
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.38  0.25  0.3  1.0
  As  As2  1  0.38  1.0  0.59  1.0

Ti Zn As
TiZnAs crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 4-coordinate geometry to two equivalent Zn(1) and two equivalent As(1) atoms. There is one shorter (1.62 Å) and one longer (2.11 Å) Ti(1)-Zn(1) bond length. There is one shorter (2.11 Å) and one longer (2.50 Å) Ti(1)-As(1) bond length. Zn(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent As(1) atoms. There is one shorter (2.11 Å) and one longer (2.96 Å) Zn(1)-As(1) bond length. As(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms.