data_Sc3Zn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.36
_cell_length_b   11.36
_cell_length_c   11.36
_cell_angle_alpha   162.61
_cell_angle_beta   162.61
_cell_angle_gamma   24.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Zn4
_chemical_formula_sum   'Sc3 Zn4'
_cell_volume   130.74
_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
  Sc  Sc1  1  0.0  0.0  0.51  1.0
  Sc  Sc2  1  0.0  0.0  0.68  1.0
  Zn  Zn3  1  0.0  0.0  0.97  1.0
  Zn  Zn4  1  0.0  0.0  0.52  1.0
  Zn  Zn5  1  0.0  0.0  0.66  1.0
  Zn  Zn6  1  0.0  0.0  0.21  1.0

data_Sc3Zn4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   11.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc3Zn4
_chemical_formula_sum   'Sc6 Zn8'
_cell_volume   261.47
_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
  Sc  Sc1  2  0.01  0.5  0.51  1.0
  Sc  Sc2  2  0.18  0.5  0.68  1.0
  Zn  Zn3  2  0.02  0.5  0.52  1.0
  Zn  Zn4  2  0.16  0.5  0.66  1.0
  Zn  Zn5  2  0.21  0.0  0.21  1.0
  Zn  Zn6  2  0.47  0.5  0.97  1.0

Sc Sc Sc Zn Zn Zn Zn