data_Zn2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   131.78
_cell_angle_beta   131.78
_cell_angle_gamma   70.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TcNi
_chemical_formula_sum   'Zn2 Tc1 Ni1'
_cell_volume   52.88
_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  Zn2  1  0.0  0.0  0.75  1.0
  Zn  Zn3  1  0.0  0.88  0.88  1.0
  Tc  Tc1  1  0.88  0.0  0.88  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Zn2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.6
_cell_angle_alpha   114.11
_cell_angle_beta   114.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TcNi
_chemical_formula_sum   'Zn2 Tc1 Ni1'
_cell_volume   52.88
_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  0.75  0.75  0.75  1.0
  Zn  Zn1  1  1.0  0.88  1.0  1.0
  Tc  Tc2  1  0.88  1.0  1.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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