data_Sc6Zn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21
_cell_length_b   10.21
_cell_length_c   10.21
_cell_angle_alpha   30.42
_cell_angle_beta   30.42
_cell_angle_gamma   30.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Zn7
_chemical_formula_sum   'Sc6 Zn7'
_cell_volume   241.58
_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  0.07  1.0
  Sc  Sc1  1  0.0  0.0  0.11  1.0
  Sc  Sc2  1  0.0  0.0  0.14  1.0
  Sc  Sc3  1  0.0  0.0  0.04  1.0
  Sc  Sc4  1  0.0  0.0  0.3  1.0
  Sc  Sc5  1  0.0  0.0  0.88  1.0
  Zn  Zn6  1  0.67  0.77  0.53  1.0
  Zn  Zn7  1  0.0  0.46  0.53  1.0
  Zn  Zn8  1  0.33  0.77  0.53  1.0
  Zn  Zn9  1  0.33  0.23  0.65  1.0
  Zn  Zn10  1  0.67  0.23  0.65  1.0
  Zn  Zn11  1  0.0  0.54  0.65  1.0
  Zn  Zn12  1  0.0  0.0  0.0  1.0

data_Sc6Zn7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   10.21
_cell_angle_alpha   74.79
_cell_angle_beta   74.79
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Zn7
_chemical_formula_sum   'Sc6 Zn7'
_cell_volume   241.58
_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  0.12  0.88  1.0
  Sc  Sc1  1  0.0  0.7  0.3  1.0
  Sc  Sc2  1  0.0  0.86  0.14  1.0
  Sc  Sc3  1  0.0  0.89  0.11  1.0
  Sc  Sc4  1  0.0  0.93  0.07  1.0
  Sc  Sc5  1  0.0  0.96  0.04  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  Zn  Zn7  1  0.23  0.47  0.97  1.0
  Zn  Zn8  1  0.23  0.47  0.63  1.0
  Zn  Zn9  1  0.46  0.35  0.18  1.0
  Zn  Zn10  1  0.54  0.47  0.99  1.0
  Zn  Zn11  1  0.77  0.35  0.54  1.0
  Zn  Zn12  1  0.77  0.35  0.21  1.0

Sc Sc Sc Sc Sc Sc Zn Zn Zn Zn Zn Zn Zn
Sc Sc Sc Sc Sc Sc Zn Zn Zn Zn Zn Zn Zn 0 3 o o o 1 2 o o o 1 4 o o o 2 4 o o o 3 12 o o o 4 10 - o o 5 12 o o + 5 8 o - o 6 7 + o o 7 11 o o o 8 10 - + o 8 10 o o o 9 11 o o o 