data_LiScZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScZn
_chemical_formula_sum   'Li1 Sc1 Zn1'
_cell_volume   54.2
_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
  Li  Li0  1  0.0  0.0  0.51  1.0
  Sc  Sc1  1  0.0  0.67  0.96  1.0
  Zn  Zn2  1  0.31  0.34  0.38  1.0

data_LiScZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScZn
_chemical_formula_sum   'Li1 Sc1 Zn1'
_cell_volume   54.2
_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
  Li  Li0  1  0.51  0.0  0.0  1.0
  Sc  Sc1  1  0.96  -0.0  0.67  1.0
  Zn  Zn2  1  0.38  0.31  0.34  1.0

Li Sc Zn
Li Sc Zn 0 2 o o o 0 1 o - o 0 1 o - - 