data_Ti7Zn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   31.09
_cell_angle_beta   31.09
_cell_angle_gamma   31.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7Zn6
_chemical_formula_sum   'Ti7 Zn6'
_cell_volume   217.71
_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
  Ti  Ti0  1  0.0  0.49  0.67  1.0
  Ti  Ti1  1  0.29  0.26  0.67  1.0
  Ti  Ti2  1  0.71  0.26  0.67  1.0
  Ti  Ti3  1  0.0  0.51  0.08  1.0
  Ti  Ti4  1  0.29  0.74  0.08  1.0
  Ti  Ti5  1  0.71  0.74  0.08  1.0
  Ti  Ti6  1  0.0  0.0  0.0  1.0
  Zn  Zn7  1  0.0  0.0  0.5  1.0
  Zn  Zn8  1  0.0  0.0  0.25  1.0
  Zn  Zn9  1  0.0  0.0  0.71  1.0
  Zn  Zn10  1  0.0  0.0  0.04  1.0
  Zn  Zn11  1  0.0  0.0  0.62  1.0
  Zn  Zn12  1  0.0  0.0  0.13  1.0

data_Ti7Zn6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   9.73
_cell_angle_alpha   74.46
_cell_angle_beta   74.46
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7Zn6
_chemical_formula_sum   'Ti7 Zn6'
_cell_volume   217.71
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.26  0.92  0.11  1.0
  Ti  Ti2  1  0.26  0.92  0.53  1.0
  Ti  Ti3  1  0.49  0.92  0.59  1.0
  Ti  Ti4  1  0.51  0.33  0.16  1.0
  Ti  Ti5  1  0.74  0.33  0.22  1.0
  Ti  Ti6  1  0.74  0.33  0.64  1.0
  Zn  Zn7  1  0.0  0.29  0.71  1.0
  Zn  Zn8  1  0.0  0.38  0.62  1.0
  Zn  Zn9  1  0.0  0.5  0.5  1.0
  Zn  Zn10  1  0.0  0.75  0.25  1.0
  Zn  Zn11  1  0.0  0.87  0.13  1.0
  Zn  Zn12  1  0.0  0.96  0.04  1.0

Ti Ti Ti Ti Ti Ti Ti Zn Zn Zn Zn Zn Zn