data_ScZn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   96.15
_cell_angle_beta   96.15
_cell_angle_gamma   141.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn8
_chemical_formula_sum   'Sc1 Zn8'
_cell_volume   141.43
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.56  0.44  0.04  1.0
  Zn  Zn2  1  0.44  0.56  0.04  1.0
  Zn  Zn3  1  0.0  0.83  0.0  1.0
  Zn  Zn4  1  0.44  0.44  0.04  1.0
  Zn  Zn5  1  0.83  0.0  0.0  1.0
  Zn  Zn6  1  0.72  0.72  0.0  1.0
  Zn  Zn7  1  0.0  0.49  0.0  1.0
  Zn  Zn8  1  0.49  0.0  0.0  1.0

data_ScZn8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   11.78
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZn8
_chemical_formula_sum   'Sc2 Zn16'
_cell_volume   282.86
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.0  0.44  0.96  1.0
  Zn  Zn2  4  0.08  0.08  -0.0  1.0
  Zn  Zn3  4  0.25  0.25  -0.0  1.0
  Zn  Zn4  2  0.06  0.5  0.96  1.0
  Zn  Zn5  2  0.28  0.0  -0.0  1.0

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