data_FeBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2P
_chemical_formula_sum   'Fe1 Bi2 P1'
_cell_volume   91.95
_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
  Fe  Fe2  1  0.79  0.79  0.79  1.0
  Bi  Bi0  1  0.37  0.37  0.37  1.0
  Bi  Bi1  1  0.58  0.58  0.58  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_FeBi2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeBi2P
_chemical_formula_sum   'Fe3 Bi6 P3'
_cell_volume   275.85
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Fe  Fe0  3  0.0  0.0  0.21  1.0
  Bi  Bi1  3  0.0  0.0  0.42  1.0
  Bi  Bi2  3  0.0  0.0  0.63  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Fe Bi Bi P
FeBi2P crystallizes in the trigonal R3m space group. Fe(1) is bonded in a distorted linear geometry to one Bi(2), three equivalent Bi(1), and one P(1) atom. The Fe(1)-Bi(2) bond length is 2.59 Å. All Fe(1)-Bi(1) bond lengths are 3.11 Å. The Fe(1)-P(1) bond length is 2.59 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Fe(1), one Bi(2), and three equivalent P(1) atoms. The Bi(1)-Bi(2) bond length is 2.59 Å. All Bi(1)-P(1) bond lengths are 2.97 Å. In the second Bi site, Bi(2) is bonded in a 1-coordinate geometry to one Fe(1), one Bi(1), and three equivalent P(1) atoms. All Bi(2)-P(1) bond lengths are 3.11 Å. P(1) is bonded in a 7-coordinate geometry to one Fe(1), three equivalent Bi(1), and three equivalent Bi(2) atoms.