data_ZrScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.55
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScZn2
_chemical_formula_sum   'Zr1 Sc1 Zn2'
_cell_volume   74.08
_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
  Zr  Zr3  1  0.0  0.27  0.32  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.75  0.0  0.32  1.0
  Zn  Zn2  1  0.75  0.27  0.0  1.0

data_ZrScZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.55
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScZn2
_chemical_formula_sum   'Zr1 Sc1 Zn2'
_cell_volume   74.08
_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
  Zr  Zr0  1  0.0  0.27  0.32  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.75  0.0  0.32  1.0
  Zn  Zn3  1  0.75  0.27  -0.0  1.0

Zr Sc Zn Zn
Zr Sc Zn Zn 0 2 - o o 0 3 - o o 1 3 - o o 1 2 - o o 