data_Zn3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   8.52
_cell_angle_alpha   154.58
_cell_angle_beta   154.58
_cell_angle_gamma   36.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Tc
_chemical_formula_sum   'Zn6 Tc2'
_cell_volume   113.77
_cell_formula_units_Z   2
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  0.87  0.0  1.0
  Zn  Zn3  1  0.87  0.0  0.0  1.0
  Zn  Zn4  1  0.0  0.87  0.05  1.0
  Zn  Zn5  1  0.87  0.0  0.05  1.0
  Zn  Zn6  1  0.0  0.0  0.1  1.0
  Zn  Zn7  1  0.0  0.0  0.09  1.0
  Tc  Tc0  1  0.0  0.0  0.2  1.0
  Tc  Tc1  1  0.0  0.0  1.0  1.0

data_Zn3Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn3Tc
_chemical_formula_sum   'Zn12 Tc4'
_cell_volume   227.54
_cell_formula_units_Z   4
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  0.44  0.44  0.87  1.0
  Zn  Zn1  4  0.44  0.56  0.83  1.0
  Zn  Zn2  2  0.0  0.0  0.9  1.0
  Zn  Zn3  2  0.0  0.0  0.91  1.0
  Tc  Tc4  2  0.0  0.0  0.0  1.0
  Tc  Tc5  2  0.0  0.0  0.8  1.0

Zn Zn Zn Zn Zn Zn Tc Tc
Zn Zn Zn Zn Zn Zn Tc Tc 0 4 o + o 0 2 o o o 1 4 + o o 1 3 o o o 2 6 o + o 3 6 + o o 4 5 o o o 4 7 o o - 5 7 o o - 