data_Zn2Cu2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   145.08
_cell_angle_beta   145.08
_cell_angle_gamma   50.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Cu2Tc
_chemical_formula_sum   'Zn2 Cu2 Tc1'
_cell_volume   70.35
_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  0.8  0.72  1.0
  Zn  Zn4  1  0.8  0.0  0.72  1.0
  Cu  Cu0  1  0.0  0.0  0.53  1.0
  Cu  Cu1  1  0.0  0.0  0.33  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_Zn2Cu2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   115.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2Cu2Tc
_chemical_formula_sum   'Zn4 Cu4 Tc2'
_cell_volume   140.71
_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  4  0.32  0.4  0.92  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.03  0.5  0.53  1.0
  Cu  Cu3  2  0.33  0.0  0.33  1.0

Zn Zn Cu Cu Tc