data_Zr5Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Zn
_chemical_formula_sum   'Zr5 Zn1'
_cell_volume   132.17
_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
  Zr  Zr1  1  0.71  0.0  0.57  1.0
  Zr  Zr2  1  0.87  0.51  0.57  1.0
  Zr  Zr3  1  0.14  0.21  0.57  1.0
  Zr  Zr4  1  0.72  0.57  0.0  1.0
  Zr  Zr5  1  0.0  0.15  0.0  1.0
  Zn  Zn0  1  0.0  0.0  0.0  1.0

data_Zr5Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Zn
_chemical_formula_sum   'Zr5 Zn1'
_cell_volume   132.17
_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
  Zr  Zr0  1  0.0  0.72  0.57  1.0
  Zr  Zr1  1  0.0  0.0  0.15  1.0
  Zr  Zr2  1  0.57  0.14  0.21  1.0
  Zr  Zr3  1  0.57  0.71  0.0  1.0
  Zr  Zr4  1  0.57  0.87  0.51  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Zr Zn