data_CaBiMoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiMoW
_chemical_formula_sum   'Ca1 Bi1 Mo1 W1'
_cell_volume   80.2
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.13  0.13  0.13  1.0
  Mo  Mo2  1  0.42  0.42  0.42  1.0
  W  W3  1  0.71  0.71  0.71  1.0

data_CaBiMoW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaBiMoW
_chemical_formula_sum   'Ca3 Bi3 Mo3 W3'
_cell_volume   240.59
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.87  1.0
  Mo  Mo2  3  0.0  0.0  0.58  1.0
  W  W3  3  0.0  0.0  0.29  1.0

Ca Bi Mo W
Ca Bi Mo W 0 1 o o o 0 2 o o - 0 2 o - o 0 2 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o - 1 2 o - o 1 2 - o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
CaWMoBi crystallizes in the trigonal R3m space group. Ca(1) is bonded in a single-bond geometry to four equivalent W(1), three equivalent Mo(1), and one Bi(1) atom. There are three shorter (2.84 Å) and one longer (3.42 Å) Ca(1)-W(1) bond length. All Ca(1)-Mo(1) bond lengths are 2.99 Å. The Ca(1)-Bi(1) bond length is 1.59 Å. W(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Mo(1), and three equivalent Bi(1) atoms. There are three shorter (2.84 Å) and one longer (3.42 Å) W(1)-Mo(1) bond length. All W(1)-Bi(1) bond lengths are 2.99 Å. Mo(1) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent W(1), and four equivalent Bi(1) atoms. There are three shorter (2.84 Å) and one longer (3.42 Å) Mo(1)-Bi(1) bond length. Bi(1) is bonded in a single-bond geometry to one Ca(1), three equivalent W(1), and four equivalent Mo(1) atoms.