data_Na2ZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnIn
_chemical_formula_sum   'Na2 Zn1 In1'
_cell_volume   98.72
_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
  Na  Na1  1  0.23  0.0  0.49  1.0
  Na  Na2  1  0.0  0.23  0.49  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.23  0.23  0.0  1.0

data_Na2ZnIn
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   4.98
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Na2ZnIn
_chemical_formula_sum   'Na4 Zn2 In2'
_cell_volume   197.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.11  0.11  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.0  0.0  0.23  1.0

Na Na Zn In
Na Na Zn In 0 1 o o o 2 3 o o o 