data_Ba2NaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaIn
_chemical_formula_sum   'Ba2 Na1 In1'
_cell_volume   168.79
_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
  Ba  Ba0  1  0.0  0.14  0.14  1.0
  Ba  Ba1  1  0.14  0.0  0.14  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.14  0.14  0.0  1.0

data_Ba2NaIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2NaIn
_chemical_formula_sum   'Ba4 Na2 In2'
_cell_volume   337.58
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  4  0.07  0.07  0.14  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.14  0.0  0.0  1.0

Ba Ba Na In
Ba Ba Na In 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 