data_MgBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.96
_cell_angle_alpha   96.84
_cell_angle_beta   96.84
_cell_angle_gamma   37.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiW2
_chemical_formula_sum   'Mg1 Bi1 W2'
_cell_volume   79.79
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.61  0.0  0.46  1.0
  W  W2  1  0.24  0.0  0.96  1.0
  W  W3  1  0.98  0.0  0.96  1.0

data_MgBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.96
_cell_length_c   5.19
_cell_angle_alpha   96.84
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiW2
_chemical_formula_sum   'Mg1 Bi1 W2'
_cell_volume   79.79
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.46  0.61  1.0
  W  W2  1  0.0  0.96  0.98  1.0
  W  W3  1  0.0  0.96  0.24  1.0

Mg Bi W W
MgW2Bi crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one W(1), one W(2), and one Bi(1) atom. The Mg(1)-W(1) bond length is 1.31 Å. The Mg(1)-W(2) bond length is 0.22 Å. The Mg(1)-Bi(1) bond length is 3.21 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Bi(1) atoms. There is one shorter (2.94 Å) and one longer (3.31 Å) W(1)-Bi(1) bond length. In the second W site, W(2) is bonded in a single-bond geometry to one Mg(1) and one Bi(1) atom. The W(2)-Bi(1) bond length is 2.94 Å. Bi(1) is bonded in a 6-coordinate geometry to one Mg(1), one W(2), two equivalent W(1), and two equivalent Bi(1) atoms. Both Bi(1)-Bi(1) bond lengths are 3.30 Å.