data_ScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.83
_cell_angle_alpha   98.43
_cell_angle_beta   98.43
_cell_angle_gamma   41.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc2 Zn4'
_cell_volume   106.51
_cell_formula_units_Z   2
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  0.94  0.0  0.59  1.0
  Sc  Sc1  1  0.02  0.0  0.17  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.97  0.0  0.68  1.0
  Zn  Zn4  1  0.54  0.0  0.88  1.0
  Zn  Zn5  1  0.0  0.0  0.07  1.0

data_ScZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.28
_cell_length_c   5.83
_cell_angle_alpha   98.43
_cell_angle_beta   90.0
_cell_angle_gamma   110.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc2 Zn4'
_cell_volume   106.51
_cell_formula_units_Z   2
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  0.06  0.41  1.0
  Sc  Sc1  1  0.0  0.98  0.83  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.03  0.32  1.0
  Zn  Zn4  1  0.0  0.46  0.12  1.0
  Zn  Zn5  1  0.0  1.0  0.93  1.0

Sc Sc Zn Zn Zn Zn