data_ScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   148.93
_cell_angle_beta   128.28
_cell_angle_gamma   61.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc2 Zn4'
_cell_volume   107.76
_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  0.0  0.57  1.0
  Sc  Sc1  1  0.0  0.0  0.51  1.0
  Zn  Zn2  1  0.0  0.09  0.0  1.0
  Zn  Zn3  1  0.73  0.0  0.28  1.0
  Zn  Zn4  1  0.0  0.81  0.26  1.0
  Zn  Zn5  1  0.0  0.54  0.0  1.0

data_ScZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.63
_cell_length_c   6.45
_cell_angle_alpha   115.86
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc2 Zn4'
_cell_volume   107.76
_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  0.51  0.51  1.0
  Sc  Sc1  1  0.0  0.57  0.57  1.0
  Zn  Zn2  1  0.0  0.28  0.56  1.0
  Zn  Zn3  1  0.19  0.44  0.44  1.0
  Zn  Zn4  1  0.46  0.46  0.46  1.0
  Zn  Zn5  1  0.91  0.91  0.91  1.0

Sc Sc Zn Zn Zn Zn