data_Sr2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82
_cell_length_b   10.82
_cell_length_c   10.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Zn
_chemical_formula_sum   'Sr16 Zn8'
_cell_volume   896.77
_cell_formula_units_Z   8
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
  Sr  Sr0  1  0.91  0.74  0.74  1.0
  Sr  Sr1  1  0.74  0.91  0.74  1.0
  Sr  Sr2  1  0.91  0.91  0.91  1.0
  Sr  Sr3  1  0.74  0.74  0.91  1.0
  Sr  Sr4  1  0.48  0.48  0.58  1.0
  Sr  Sr5  1  0.38  0.48  0.48  1.0
  Sr  Sr6  1  0.48  0.38  0.48  1.0
  Sr  Sr7  1  0.48  0.58  0.48  1.0
  Sr  Sr8  1  0.58  0.48  0.48  1.0
  Sr  Sr9  1  0.48  0.48  0.38  1.0
  Sr  Sr10  1  0.65  0.65  0.56  1.0
  Sr  Sr11  1  0.75  0.65  0.65  1.0
  Sr  Sr12  1  0.65  0.75  0.65  1.0
  Sr  Sr13  1  0.65  0.56  0.65  1.0
  Sr  Sr14  1  0.56  0.65  0.65  1.0
  Sr  Sr15  1  0.65  0.65  0.75  1.0
  Zn  Zn16  1  0.61  0.61  0.05  1.0
  Zn  Zn17  1  0.05  0.05  0.05  1.0
  Zn  Zn18  1  0.61  0.05  0.61  1.0
  Zn  Zn19  1  0.05  0.61  0.61  1.0
  Zn  Zn20  1  0.88  0.88  0.09  1.0
  Zn  Zn21  1  0.09  0.09  0.09  1.0
  Zn  Zn22  1  0.88  0.09  0.88  1.0
  Zn  Zn23  1  0.09  0.88  0.88  1.0

data_Sr2Zn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.82
_cell_length_b   10.82
_cell_length_c   26.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2Zn
_chemical_formula_sum   'Sr48 Zn24'
_cell_volume   2690.32
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  9  0.03  0.07  0.49  1.0
  Sr  Sr1  9  0.03  0.07  0.31  1.0
  Sr  Sr2  9  0.06  0.94  0.2  1.0
  Sr  Sr3  9  0.07  0.03  0.55  1.0
  Sr  Sr4  9  0.07  0.03  0.38  1.0
  Sr  Sr5  3  0.0  0.0  0.09  1.0
  Zn  Zn6  9  0.04  0.52  0.91  1.0
  Zn  Zn7  9  0.07  0.14  0.05  1.0
  Zn  Zn8  3  0.0  0.0  0.91  1.0
  Zn  Zn9  3  0.0  0.0  0.95  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Zn Zn Zn Zn Zn Zn Zn Zn
Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Zn Zn Zn Zn Zn Zn Zn Zn 0 3 o o o 0 1 o o o 0 19 + o o 1 3 o o o 1 18 o + o 2 20 o o + 2 23 + o o 2 22 o + o 3 16 o o + 4 8 o o o 4 7 o o o 5 6 o o o 5 9 o o o 6 9 o o o 7 8 o o o 10 13 o o o 10 14 o o o 11 15 o o o 11 12 o o o 12 15 o o o 13 14 o o o 17 21 o o o 