data_ZrCr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Bi
_chemical_formula_sum   'Zr1 Cr2 Bi1'
_cell_volume   73.47
_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
  Zr  Zr3  1  0.0  0.0  0.38  1.0
  Cr  Cr1  1  0.0  0.0  0.42  1.0
  Cr  Cr2  1  0.55  0.55  0.57  1.0
  Bi  Bi0  1  0.55  0.55  0.05  1.0

data_ZrCr2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCr2Bi
_chemical_formula_sum   'Zr2 Cr4 Bi2'
_cell_volume   146.94
_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
  Zr  Zr0  2  0.0  0.0  0.38  1.0
  Cr  Cr1  2  0.0  0.0  0.42  1.0
  Cr  Cr2  2  0.05  0.5  0.57  1.0
  Bi  Bi3  2  0.05  0.5  0.05  1.0

Zr Cr Cr Bi
Zr Cr Cr Bi 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 3 o o + 3 3 + o o 3 3 o + o 
ZrCr2Bi crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one Cr(1) and four equivalent Bi(1) atoms. The Zr(1)-Cr(1) bond length is 0.30 Å. There are a spread of Zr(1)-Bi(1) bond distances ranging from 3.18-3.49 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Zr(1) and four equivalent Cr(2) atoms. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.28-2.69 Å. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to four equivalent Cr(1) and one Bi(1) atom. The Cr(2)-Bi(1) bond length is 3.66 Å. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Cr(2), and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.11 Å.