data_ZnTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   136.27
_cell_angle_beta   136.27
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcAs2
_chemical_formula_sum   'Zn1 Tc1 As2'
_cell_volume   63.85
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.91  0.18  1.0
  As  As0  1  0.91  0.0  0.18  1.0
  As  As1  1  0.0  0.0  0.36  1.0

data_ZnTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.13
_cell_angle_alpha   111.87
_cell_angle_beta   111.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcAs2
_chemical_formula_sum   'Zn1 Tc1 As2'
_cell_volume   63.85
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.27  0.18  0.27  1.0
  As  As2  1  0.18  0.27  0.27  1.0
  As  As3  1  0.36  0.36  0.36  1.0

Zn Tc As As
Zn Tc As As 0 2 - o o 0 1 o - o 1 2 - + o 1 3 o + o 2 3 + o o 