data_Ca2NbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbW
_chemical_formula_sum   'Ca2 Nb1 W1'
_cell_volume   98.48
_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  Ca0  1  0.0  0.0  0.43  1.0
  Ca  Ca1  1  0.77  0.0  0.57  1.0
  Nb  Nb2  1  0.0  0.0  0.81  1.0
  W  W3  1  0.77  0.0  0.97  1.0

data_Ca2NbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbW
_chemical_formula_sum   'Ca2 Nb1 W1'
_cell_volume   98.48
_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  Ca0  1  0.0  0.0  0.43  1.0
  Ca  Ca1  1  0.77  0.0  0.57  1.0
  Nb  Nb2  1  0.0  0.0  0.81  1.0
  W  W3  1  0.77  0.0  0.97  1.0

Ca Ca Nb W
Ca Ca Nb W 0 1 - o o 2 3 - o o 
Ca2NbW crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ca2NbW cluster. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Ca(2) atom. The Ca(1)-Ca(2) bond length is 1.62 Å. In the second Ca site, Ca(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Nb(1) atom. The Ca(2)-Nb(1) bond length is 2.70 Å. Nb(1) is bonded in a distorted single-bond geometry to one Ca(2) and one W(1) atom. The Nb(1)-W(1) bond length is 1.82 Å. W(1) is bonded in a single-bond geometry to one Nb(1) atom.