data_CrBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2P
_chemical_formula_sum   'Cr1 Bi2 P1'
_cell_volume   93.66
_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
  Cr  Cr2  1  0.6  0.6  0.6  1.0
  Bi  Bi0  1  0.41  0.41  0.41  1.0
  Bi  Bi1  1  0.8  0.8  0.8  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CrBi2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrBi2P
_chemical_formula_sum   'Cr3 Bi6 P3'
_cell_volume   280.97
_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
  Cr  Cr0  3  0.0  0.0  0.4  1.0
  Bi  Bi1  3  0.0  0.0  0.2  1.0
  Bi  Bi2  3  0.0  0.0  0.59  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Cr Bi Bi P
Cr Bi Bi P 0 1 o o o 0 1 o + o 0 1 + o o 0 1 o o + 0 3 o + + 0 3 + o + 0 3 + + o 0 2 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + + 2 3 + + o 2 3 o + + 2 3 + o + 
CrBi2P crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(2), and three equivalent P(1) atoms. The Cr(1)-Bi(1) bond length is 2.47 Å. The Cr(1)-Bi(2) bond length is 2.47 Å. All Cr(1)-P(1) bond lengths are 3.04 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Cr(1) and three equivalent P(1) atoms. All Bi(1)-P(1) bond lengths are 3.08 Å. In the second Bi site, Bi(2) is bonded in a distorted linear geometry to one Cr(1) and one P(1) atom. The Bi(2)-P(1) bond length is 2.47 Å. P(1) is bonded in a 7-coordinate geometry to three equivalent Cr(1), one Bi(2), and three equivalent Bi(1) atoms.