data_Zr3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Si2
_chemical_formula_sum   'Zr6 Si4'
_cell_volume   188.47
_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
  Zr  Zr0  1  0.81  0.24  0.85  1.0
  Zr  Zr1  1  0.33  0.9  0.85  1.0
  Zr  Zr2  1  0.24  0.33  0.85  1.0
  Zr  Zr3  1  0.9  0.81  0.85  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.57  0.57  0.0  1.0
  Si  Si6  1  0.87  0.44  0.0  1.0
  Si  Si7  1  0.27  0.7  0.0  1.0
  Si  Si8  1  0.44  0.27  0.0  1.0
  Si  Si9  1  0.7  0.87  0.0  1.0

data_Zr3Si2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   7.14
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Si2
_chemical_formula_sum   'Zr6 Si4'
_cell_volume   188.47
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.57  0.57  1.0
  Zr  Zr2  1  0.85  0.24  0.33  1.0
  Zr  Zr3  1  0.85  0.33  0.9  1.0
  Zr  Zr4  1  0.85  0.81  0.24  1.0
  Zr  Zr5  1  0.85  0.9  0.81  1.0
  Si  Si6  1  0.0  0.27  0.7  1.0
  Si  Si7  1  0.0  0.7  0.87  1.0
  Si  Si8  1  0.0  0.44  0.27  1.0
  Si  Si9  1  0.0  0.87  0.44  1.0

Zr Zr Zr Zr Zr Zr Si Si Si Si