data_Zn3Si2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Si2Ni
_chemical_formula_sum   'Zn12 Si8 Ni4'
_cell_volume   341.96
_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  Zn12  1  0.59  0.55  0.55  1.0
  Zn  Zn13  1  0.51  0.55  0.55  1.0
  Zn  Zn14  1  0.55  0.51  0.55  1.0
  Zn  Zn15  1  0.55  0.59  0.55  1.0
  Zn  Zn16  1  0.55  0.55  0.51  1.0
  Zn  Zn17  1  0.55  0.55  0.59  1.0
  Zn  Zn18  1  0.33  0.29  0.33  1.0
  Zn  Zn19  1  0.33  0.37  0.33  1.0
  Zn  Zn20  1  0.37  0.33  0.33  1.0
  Zn  Zn21  1  0.29  0.33  0.33  1.0
  Zn  Zn22  1  0.33  0.33  0.37  1.0
  Zn  Zn23  1  0.33  0.33  0.29  1.0
  Si  Si4  1  0.73  0.37  0.37  1.0
  Si  Si5  1  0.37  0.73  0.37  1.0
  Si  Si6  1  0.37  0.37  0.73  1.0
  Si  Si7  1  0.73  0.73  0.73  1.0
  Si  Si8  1  0.51  0.14  0.51  1.0
  Si  Si9  1  0.14  0.51  0.51  1.0
  Si  Si10  1  0.51  0.51  0.14  1.0
  Si  Si11  1  0.14  0.14  0.14  1.0
  Ni  Ni0  1  0.39  0.16  0.16  1.0
  Ni  Ni1  1  0.16  0.39  0.16  1.0
  Ni  Ni2  1  0.16  0.16  0.39  1.0
  Ni  Ni3  1  0.39  0.39  0.39  1.0

data_Zn3Si2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   19.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn3Si2Ni
_chemical_formula_sum   'Zn36 Si24 Ni12'
_cell_volume   1025.89
_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+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
  Zn  Zn0  9  0.01  0.03  0.66  1.0
  Zn  Zn1  9  0.01  0.03  0.44  1.0
  Zn  Zn2  9  0.03  0.01  0.69  1.0
  Zn  Zn3  9  0.03  0.01  0.46  1.0
  Si  Si4  9  0.09  0.54  0.18  1.0
  Si  Si5  9  0.21  0.79  0.28  1.0
  Si  Si6  3  0.0  0.0  0.27  1.0
  Si  Si7  3  0.0  0.0  0.86  1.0
  Ni  Ni8  9  0.07  0.15  0.76  1.0
  Ni  Ni9  3  0.0  0.0  0.61  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Si Si Si Si Si Si Si Si Ni Ni Ni Ni