data_NaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   7.97
_cell_angle_alpha   102.39
_cell_angle_beta   102.39
_cell_angle_gamma   31.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2
_chemical_formula_sum   'Na2 In4'
_cell_volume   164.18
_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
  Na  Na4  1  0.94  0.0  0.07  1.0
  Na  Na5  1  0.29  0.0  0.39  1.0
  In  In0  1  0.25  0.0  0.75  1.0
  In  In1  1  0.9  0.0  0.18  1.0
  In  In2  1  0.6  0.0  0.62  1.0
  In  In3  1  0.21  0.0  0.59  1.0

data_NaIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.38
_cell_length_c   7.97
_cell_angle_alpha   102.39
_cell_angle_beta   90.0
_cell_angle_gamma   105.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2
_chemical_formula_sum   'Na2 In4'
_cell_volume   164.18
_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
  Na  Na0  1  0.0  0.06  0.93  1.0
  Na  Na1  1  0.0  0.71  0.61  1.0
  In  In2  1  0.0  0.1  0.82  1.0
  In  In3  1  0.0  0.4  0.38  1.0
  In  In4  1  0.0  0.75  0.25  1.0
  In  In5  1  0.0  0.79  0.41  1.0

Na Na In In In In