data_Zn5In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5In
_chemical_formula_sum   'Zn5 In1'
_cell_volume   108.03
_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  0.69  0.55  0.0  1.0
  Zn  Zn2  1  0.0  0.11  0.0  1.0
  Zn  Zn3  1  0.66  0.33  0.16  1.0
  Zn  Zn4  1  0.34  0.33  0.16  1.0
  Zn  Zn5  1  0.69  0.0  0.16  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Zn5In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5In
_chemical_formula_sum   'Zn5 In1'
_cell_volume   108.03
_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  -0.0  0.69  0.55  1.0
  Zn  Zn1  1  0.0  0.0  0.11  1.0
  Zn  Zn2  1  0.16  0.34  0.33  1.0
  Zn  Zn3  1  0.16  0.66  0.33  1.0
  Zn  Zn4  1  0.16  0.69  0.0  1.0
  In  In5  1  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Zn In