data_YMgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgZn
_chemical_formula_sum   'Y1 Mg1 Zn1'
_cell_volume   69.44
_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  0.38  0.38  0.77  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.75  0.0  1.0

data_YMgZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgZn
_chemical_formula_sum   'Y1 Mg1 Zn1'
_cell_volume   69.44
_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  Y0  1  0.77  0.38  0.38  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  -0.0  0.0  0.75  1.0

Y Mg Zn
Y Mg Zn 0 1 o o + 1 2 o - o 