data_In2BiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   127.85
_cell_angle_beta   127.85
_cell_angle_gamma   76.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiP2
_chemical_formula_sum   'In2 Bi1 P2'
_cell_volume   121.93
_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  0.99  1.0
  In  In2  1  0.0  0.0  0.2  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.58  0.3  1.0
  P  P4  1  0.58  0.0  0.3  1.0

data_In2BiP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   128.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2BiP2
_chemical_formula_sum   'In4 Bi2 P4'
_cell_volume   243.85
_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  0.0  0.0  0.2  1.0
  In  In1  2  0.0  0.0  0.99  1.0
  Bi  Bi2  2  0.0  0.0  0.0  1.0
  P  P3  4  0.21  0.21  0.72  1.0

In In Bi P P
In2BiP2 crystallizes in the monoclinic Cm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Bi(1) and four equivalent P(1) atoms. The In(1)-Bi(1) bond length is 0.08 Å. There are two shorter (2.68 Å) and two longer (3.19 Å) In(1)-P(1) bond lengths. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Bi(1) and four equivalent P(1) atoms. The In(2)-Bi(1) bond length is 1.15 Å. There are two shorter (2.87 Å) and two longer (3.06 Å) In(2)-P(1) bond lengths. Bi(1) is bonded in a distorted linear geometry to one In(1), one In(2), and two equivalent P(1) atoms. Both Bi(1)-P(1) bond lengths are 2.69 Å. P(1) is bonded in a 5-coordinate geometry to two equivalent In(1), two equivalent In(2), and one Bi(1) atom.