data_Zn3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   152.49
_cell_angle_beta   58.71
_cell_angle_gamma   129.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Si
_chemical_formula_sum   'Zn3 Si1'
_cell_volume   61.81
_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
  Zn  Zn1  1  0.33  0.0  0.39  1.0
  Zn  Zn2  1  0.33  0.45  0.21  1.0
  Zn  Zn3  1  0.0  0.42  0.6  1.0
  Si  Si0  1  0.0  0.0  0.78  1.0

data_Zn3Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.79
_cell_length_c   5.58
_cell_angle_alpha   115.39
_cell_angle_beta   103.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Si
_chemical_formula_sum   'Zn3 Si1'
_cell_volume   61.81
_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
  Zn  Zn0  1  0.21  0.76  0.09  1.0
  Zn  Zn1  1  0.39  0.39  0.71  1.0
  Zn  Zn2  1  0.6  0.18  0.18  1.0
  Si  Si3  1  0.78  0.78  0.78  1.0

Zn Zn Zn Si
Zn Zn Zn Si 0 3 o - - 0 3 o o o 0 1 o - o 1 3 o o - 1 2 o o o 1 2 o - - 2 3 o + o 2 3 o o - 2 2 o + + 