data_BaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn
_chemical_formula_sum   'Ba4 In4'
_cell_volume   316.65
_cell_formula_units_Z   4
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  0.22  0.15  0.35  1.0
  Ba  Ba1  1  0.22  0.85  0.45  1.0
  Ba  Ba2  1  0.22  0.29  0.35  1.0
  Ba  Ba3  1  0.22  0.71  0.45  1.0
  In  In4  1  0.55  0.99  0.35  1.0
  In  In5  1  0.9  0.01  0.45  1.0
  In  In6  1  0.9  0.99  0.35  1.0
  In  In7  1  0.55  0.01  0.45  1.0

data_BaIn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.8
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   113.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaIn
_chemical_formula_sum   'Ba4 In4'
_cell_volume   316.65
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.05  0.0  0.71  1.0
  Ba  Ba1  2  0.05  0.0  0.85  1.0
  In  In2  2  0.05  0.32  0.01  1.0
  In  In3  2  0.05  0.68  0.01  1.0

Ba Ba Ba Ba In In In In
Ba Ba Ba Ba In In In In 0 2 o o o 1 3 o o o 4 7 o + o 5 6 o - o 