data_ZnTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   135.8
_cell_angle_beta   135.8
_cell_angle_gamma   64.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTc2Ni
_chemical_formula_sum   'Zn1 Tc2 Ni1'
_cell_volume   53.88
_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  Zn3  1  0.0  0.0  0.09  1.0
  Tc  Tc1  1  0.82  0.0  0.04  1.0
  Tc  Tc2  1  0.0  0.82  0.04  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_ZnTc2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   122.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnTc2Ni
_chemical_formula_sum   'Zn2 Tc4 Ni2'
_cell_volume   107.76
_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
  Zn  Zn0  2  0.41  0.5  0.91  1.0
  Tc  Tc1  4  0.36  0.41  0.77  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Zn Tc Tc Ni