data_InBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   147.71
_cell_angle_beta   147.71
_cell_angle_gamma   46.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBP2
_chemical_formula_sum   'In1 B1 P2'
_cell_volume   66.75
_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
  In  In1  1  0.0  0.0  0.67  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.72  0.84  1.0
  P  P3  1  0.72  0.0  0.84  1.0

data_InBP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   113.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InBP2
_chemical_formula_sum   'In2 B2 P4'
_cell_volume   133.51
_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
  In  In0  2  0.17  0.5  0.67  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  P  P2  4  0.48  0.36  0.12  1.0

In B P P
In B P P 0 1 o o + 1 3 - o - 1 2 o - - 