data_YZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   25.13
_cell_angle_beta   25.13
_cell_angle_gamma   25.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn
_chemical_formula_sum   'Y2 Zn2'
_cell_volume   102.29
_cell_formula_units_Z   2
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  0.0  0.0  0.72  1.0
  Y  Y1  1  0.0  0.0  0.37  1.0
  Zn  Zn2  1  0.0  0.0  0.1  1.0
  Zn  Zn3  1  0.0  0.0  0.99  1.0

data_YZn
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.51
_cell_length_b   3.76
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   YZn
_chemical_formula_sum   'Y4 Zn4'
_cell_volume   204.57
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  -0.0  0.0  0.18  1.0
  Zn  Zn1  4  -0.0  0.0  0.45  1.0

Y Y Zn Zn
Y Y Zn Zn 0 3 o o o 1 2 o o o 2 3 o o - 