data_Zn4Tc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   93.66
_cell_angle_beta   93.66
_cell_angle_gamma   150.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4Tc5
_chemical_formula_sum   'Zn4 Tc5'
_cell_volume   129.86
_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  Zn5  1  0.96  0.0  0.0  1.0
  Zn  Zn6  1  0.93  0.0  0.0  1.0
  Zn  Zn7  1  0.0  0.96  0.0  1.0
  Zn  Zn8  1  0.0  0.93  0.0  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.92  0.92  0.0  1.0
  Tc  Tc2  1  0.52  0.52  0.64  1.0
  Tc  Tc3  1  0.52  0.48  0.64  1.0
  Tc  Tc4  1  0.48  0.52  0.64  1.0

data_Zn4Tc5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.28
_cell_length_b   12.58
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   104.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn4Tc5
_chemical_formula_sum   'Zn8 Tc10'
_cell_volume   259.71
_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  0.02  0.02  0.0  1.0
  Zn  Zn1  4  0.03  0.03  0.0  1.0
  Tc  Tc2  4  0.0  0.48  0.36  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0
  Tc  Tc4  2  0.08  0.0  0.0  1.0
  Tc  Tc5  2  0.48  0.0  0.36  1.0

Zn Zn Zn Zn Tc Tc Tc Tc Tc
Zn Zn Zn Zn Tc Tc Tc Tc Tc 0 1 o o o 0 4 + o o 0 5 o - o 2 3 o o o 2 4 o + o 2 5 - o o 4 5 - - o 6 8 o o o 6 7 o o o 