data_ScZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn3
_chemical_formula_sum   'Sc4 Zn12'
_cell_volume   268.83
_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  0.0  0.0  0.61  1.0
  Sc  Sc2  1  0.0  0.35  0.3  1.0
  Sc  Sc3  1  0.9  0.67  0.91  1.0
  Zn  Zn4  1  0.55  0.51  0.0  1.0
  Zn  Zn5  1  0.55  0.51  0.61  1.0
  Zn  Zn6  1  0.0  0.74  0.91  1.0
  Zn  Zn7  1  0.6  0.16  0.91  1.0
  Zn  Zn8  1  0.5  0.87  0.3  1.0
  Zn  Zn9  1  0.9  0.0  0.0  1.0
  Zn  Zn10  1  0.9  0.0  0.61  1.0
  Zn  Zn11  1  0.45  0.51  0.0  1.0
  Zn  Zn12  1  0.45  0.51  0.61  1.0
  Zn  Zn13  1  0.4  0.16  0.91  1.0
  Zn  Zn14  1  0.3  0.87  0.3  1.0
  Zn  Zn15  1  0.9  0.29  0.3  1.0

data_ScZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn3
_chemical_formula_sum   'Sc4 Zn12'
_cell_volume   268.83
_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  0.35  0.3  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.61  1.0
  Sc  Sc3  1  0.9  0.67  0.91  1.0
  Zn  Zn4  1  -0.0  0.74  0.91  1.0
  Zn  Zn5  1  0.3  0.87  0.3  1.0
  Zn  Zn6  1  0.4  0.16  0.91  1.0
  Zn  Zn7  1  0.45  0.51  0.0  1.0
  Zn  Zn8  1  0.45  0.51  0.61  1.0
  Zn  Zn9  1  0.5  0.87  0.3  1.0
  Zn  Zn10  1  0.55  0.51  0.0  1.0
  Zn  Zn11  1  0.55  0.51  0.61  1.0
  Zn  Zn12  1  0.6  0.16  0.91  1.0
  Zn  Zn13  1  0.9  0.0  0.0  1.0
  Zn  Zn14  1  0.9  0.0  0.61  1.0
  Zn  Zn15  1  0.9  0.29  0.3  1.0

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