data_ScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc4 Zn8'
_cell_volume   276.4
_cell_formula_units_Z   4
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
  Sc  Sc1  1  0.26  0.26  0.0  1.0
  Sc  Sc2  1  0.26  0.0  0.26  1.0
  Sc  Sc3  1  0.0  0.26  0.26  1.0
  Zn  Zn4  1  0.55  0.55  0.55  1.0
  Zn  Zn5  1  0.97  0.97  0.97  1.0
  Zn  Zn6  1  0.8  0.71  0.97  1.0
  Zn  Zn7  1  0.71  0.8  0.55  1.0
  Zn  Zn8  1  0.97  0.8  0.71  1.0
  Zn  Zn9  1  0.55  0.71  0.8  1.0
  Zn  Zn10  1  0.71  0.97  0.8  1.0
  Zn  Zn11  1  0.8  0.55  0.71  1.0

data_ScZn2
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc12 Zn24'
_cell_volume   829.2
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.09  0.17  0.17  1.0
  Sc  Sc1  3  0.0  0.0  0.0  1.0
  Zn  Zn2  9  0.02  0.14  0.69  1.0
  Zn  Zn3  9  0.14  0.12  0.83  1.0
  Zn  Zn4  3  0.0  0.0  0.55  1.0
  Zn  Zn5  3  0.0  0.0  0.97  1.0

Sc Sc Sc Sc Zn Zn Zn Zn Zn Zn Zn Zn