data_Y2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrBi
_chemical_formula_sum   'Y2 Cr1 Bi1'
_cell_volume   99.78
_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
  Y  Y2  1  0.52  0.52  0.52  1.0
  Y  Y3  1  0.68  0.68  0.68  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.84  0.84  0.84  1.0

data_Y2CrBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2CrBi
_chemical_formula_sum   'Y6 Cr3 Bi3'
_cell_volume   299.35
_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
  Y  Y0  3  0.0  0.0  0.32  1.0
  Y  Y1  3  0.0  0.0  0.48  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.16  1.0

Y Y Cr Bi
Y2CrBi crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Y(2) and three equivalent Bi(1) atoms to form distorted YYBi3 trigonal pyramids that share  a cornercorner with one Bi(1)Y4Cr trigonal bipyramid and corners with six equivalent Y(1)YBi3 trigonal pyramids. The Y(1)-Y(2) bond length is 2.03 Å. All Y(1)-Bi(1) bond lengths are 3.01 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(1) and one Bi(1) atom. The Y(2)-Bi(1) bond length is 2.03 Å. Cr(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Cr(1)-Bi(1) bond length is 2.03 Å. Bi(1) is bonded to one Y(2), three equivalent Y(1), and one Cr(1) atom to form distorted BiY4Cr trigonal bipyramids that share corners with six equivalent Bi(1)Y4Cr trigonal bipyramids and  a cornercorner with one Y(1)YBi3 trigonal pyramid.