data_ScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   144.5
_cell_angle_beta   128.23
_cell_angle_gamma   64.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc1 Zn2'
_cell_volume   53.06
_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
  Zn  Zn1  1  0.0  0.0  0.8  1.0
  Zn  Zn2  1  0.0  0.0  0.5  1.0

data_ScZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.28
_cell_length_c   4.9
_cell_angle_alpha   115.89
_cell_angle_beta   107.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2
_chemical_formula_sum   'Sc1 Zn2'
_cell_volume   53.06
_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
  Zn  Zn1  1  0.2  0.2  0.2  1.0
  Zn  Zn2  1  0.5  0.5  0.5  1.0

Sc Zn Zn