data_InBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23
_cell_length_b   5.79
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBF4
_chemical_formula_sum   'In4 B4 F16'
_cell_volume   398.24
_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
  In  In0  1  0.33  0.45  0.47  1.0
  In  In1  1  0.9  0.34  0.97  1.0
  In  In2  1  0.51  0.34  0.2  1.0
  In  In3  1  0.72  0.45  0.25  1.0
  B  B4  1  0.57  0.45  0.12  1.0
  B  B5  1  0.19  0.45  0.05  1.0
  B  B6  1  0.04  0.34  0.4  1.0
  B  B7  1  0.66  0.34  0.32  1.0
  F  F8  1  0.91  0.18  0.23  1.0
  F  F9  1  0.52  0.5  0.5  1.0
  F  F10  1  0.71  0.61  0.95  1.0
  F  F11  1  0.33  0.29  0.22  1.0
  F  F12  1  0.61  0.45  0.16  1.0
  F  F13  1  0.62  0.34  0.29  1.0
  F  F14  1  0.01  0.34  0.43  1.0
  F  F15  1  0.22  0.45  0.01  1.0
  F  F16  1  0.54  0.45  0.51  1.0
  F  F17  1  0.69  0.34  0.93  1.0
  F  F18  1  0.31  0.34  0.79  1.0
  F  F19  1  0.92  0.45  0.66  1.0
  F  F20  1  0.71  0.29  0.95  1.0
  F  F21  1  0.52  0.18  0.5  1.0
  F  F22  1  0.91  0.5  0.23  1.0
  F  F23  1  0.33  0.61  0.22  1.0

data_InBF4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.79
_cell_length_b   7.45
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InBF4
_chemical_formula_sum   'In4 B4 F16'
_cell_volume   398.24
_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
  In  In0  2  0.05  0.25  0.22  1.0
  In  In1  2  0.05  0.03  0.6  1.0
  B  B2  2  0.05  0.82  0.07  1.0
  B  B3  2  0.05  0.9  0.46  1.0
  F  F4  2  0.05  0.29  0.42  1.0
  F  F5  2  0.05  0.93  0.49  1.0
  F  F6  2  0.05  0.43  0.81  1.0
  F  F7  2  0.05  0.79  0.11  1.0
  F  F8  2  0.11  0.27  0.41  1.0
  F  F9  2  0.11  0.0  0.79  1.0
  F  F10  2  0.21  0.73  0.59  1.0
  F  F11  2  0.21  1.0  0.21  1.0

In In In In B B B B F F F F F F F F F F F F F F F F