data_YScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.43
_cell_angle_alpha   91.26
_cell_angle_beta   91.26
_cell_angle_gamma   92.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScZn2
_chemical_formula_sum   'Y1 Sc1 Zn2'
_cell_volume   82.8
_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
  Y  Y1  1  0.41  0.0  0.0  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.65  0.77  0.71  1.0
  Zn  Zn3  1  0.65  0.23  0.71  1.0

data_YScZn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   91.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YScZn2
_chemical_formula_sum   'Y1 Sc1 Zn2'
_cell_volume   82.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.0  0.0  0.41  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  2  0.71  0.23  0.65  1.0

Y Sc Zn Zn