data_Ca2YBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YBi
_chemical_formula_sum   'Ca2 Y1 Bi1'
_cell_volume   126.07
_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
  Ca  Ca1  1  0.47  0.0  0.58  1.0
  Ca  Ca2  1  0.0  0.47  0.58  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.47  0.47  0.0  1.0

data_Ca2YBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2YBi
_chemical_formula_sum   'Ca4 Y2 Bi2'
_cell_volume   252.13
_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
  Ca  Ca0  4  0.24  0.24  0.58  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.47  0.0  0.0  1.0

Ca Ca Y Bi
Ca2YBi crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 12-coordinate geometry to four equivalent Ca(1), four equivalent Y(1), and four equivalent Bi(1) atoms. There are a spread of Ca(1)-Ca(1) bond distances ranging from 3.31-3.68 Å. There are a spread of Ca(1)-Y(1) bond distances ranging from 3.20-3.95 Å. There are a spread of Ca(1)-Bi(1) bond distances ranging from 3.20-3.95 Å. Y(1) is bonded to eight equivalent Ca(1) and four equivalent Bi(1) atoms to form a mixture of distorted corner and face-sharing YCa8Bi4 cuboctahedra. There are a spread of Y(1)-Bi(1) bond distances ranging from 3.31-3.68 Å. Bi(1) is bonded in a 12-coordinate geometry to eight equivalent Ca(1) and four equivalent Y(1) atoms.