data_Cr2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiSe
_chemical_formula_sum   'Cr2 Bi1 Se1'
_cell_volume   76.27
_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  Cr1  1  0.0  0.0  0.54  1.0
  Cr  Cr2  1  0.59  0.59  0.63  1.0
  Bi  Bi0  1  0.59  0.59  0.23  1.0
  Se  Se3  1  0.0  0.0  0.98  1.0

data_Cr2BiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2BiSe
_chemical_formula_sum   'Cr4 Bi2 Se2'
_cell_volume   152.54
_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
  Cr  Cr0  2  0.0  0.0  0.54  1.0
  Cr  Cr1  2  0.09  0.5  0.63  1.0
  Bi  Bi2  2  0.09  0.5  0.23  1.0
  Se  Se3  2  0.0  0.0  0.98  1.0

Cr Cr Bi Se
Cr2BiSe crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to four equivalent Cr(2) atoms. There are a spread of Cr(1)-Cr(2) bond distances ranging from 1.98-2.71 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to four equivalent Cr(1), one Bi(1), and one Se(1) atom. The Cr(2)-Bi(1) bond length is 3.06 Å. The Cr(2)-Se(1) bond length is 3.21 Å. Bi(1) is bonded in a 1-coordinate geometry to one Cr(2) and one Se(1) atom. The Bi(1)-Se(1) bond length is 2.67 Å. Se(1) is bonded in a 1-coordinate geometry to one Cr(2) and one Bi(1) atom.