data_Ba4In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   96.27
_cell_angle_beta   96.27
_cell_angle_gamma   141.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4In5
_chemical_formula_sum   'Ba4 In5'
_cell_volume   338.84
_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  0.73  0.0  1.0
  Ba  Ba1  1  0.0  0.37  0.0  1.0
  Ba  Ba2  1  0.37  0.0  0.0  1.0
  Ba  Ba3  1  0.73  0.0  0.0  1.0
  In  In4  1  0.0  0.0  0.0  1.0
  In  In5  1  0.38  0.62  0.75  1.0
  In  In6  1  0.62  0.38  0.75  1.0
  In  In7  1  0.93  0.93  0.0  1.0
  In  In8  1  0.62  0.62  0.75  1.0

data_Ba4In5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   15.7
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba4In5
_chemical_formula_sum   'Ba8 In10'
_cell_volume   677.67
_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  0.14  0.14  -0.0  1.0
  Ba  Ba1  4  0.31  0.31  -0.0  1.0
  In  In2  4  0.25  0.88  0.75  1.0
  In  In3  2  0.0  0.0  0.0  1.0
  In  In4  2  0.07  0.0  0.0  1.0
  In  In5  2  0.13  0.0  0.75  1.0

Ba Ba Ba Ba In In In In In
Ba Ba Ba Ba In In In In In 0 6 - o - 0 4 o + o 0 7 - o o 0 2 o + o 1 3 - o o 3 5 o - - 3 7 o - o 3 4 + o o 4 7 - - o 4 8 - - - 5 8 o o o 6 8 o o o 7 8 o o - 