data_Zn4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4Os
_chemical_formula_sum   'Zn16 Os4'
_cell_volume   308.54
_cell_formula_units_Z   4
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
  Zn  Zn4  1  0.79  0.21  0.21  1.0
  Zn  Zn5  1  0.05  0.05  0.05  1.0
  Zn  Zn6  1  0.21  0.21  0.79  1.0
  Zn  Zn7  1  0.21  0.79  0.21  1.0
  Zn  Zn8  1  0.0  0.0  0.92  1.0
  Zn  Zn9  1  0.0  0.0  0.59  1.0
  Zn  Zn10  1  0.0  0.92  0.0  1.0
  Zn  Zn11  1  0.0  0.59  0.0  1.0
  Zn  Zn12  1  0.59  0.0  0.0  1.0
  Zn  Zn13  1  0.92  0.0  0.0  1.0
  Zn  Zn14  1  0.0  0.26  0.13  1.0
  Zn  Zn15  1  0.26  0.0  0.13  1.0
  Zn  Zn16  1  0.26  0.13  0.0  1.0
  Zn  Zn17  1  0.0  0.13  0.26  1.0
  Zn  Zn18  1  0.13  0.26  0.0  1.0
  Zn  Zn19  1  0.13  0.0  0.26  1.0
  Os  Os0  1  0.29  0.71  0.71  1.0
  Os  Os1  1  0.55  0.55  0.55  1.0
  Os  Os2  1  0.71  0.71  0.29  1.0
  Os  Os3  1  0.71  0.29  0.71  1.0

data_Zn4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.04
_cell_length_b   12.04
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4Os
_chemical_formula_sum   'Zn48 Os12'
_cell_volume   925.63
_cell_formula_units_Z   12
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Zn  Zn0  18  0.0  0.13  0.13  1.0
  Zn  Zn1  9  0.03  0.05  0.97  1.0
  Zn  Zn2  9  0.05  0.53  0.74  1.0
  Zn  Zn3  9  0.06  0.53  0.53  1.0
  Zn  Zn4  3  0.0  0.0  0.05  1.0
  Os  Os5  9  0.06  0.53  0.24  1.0
  Os  Os6  3  0.0  0.0  0.55  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Os Os Os Os