data_Mg6CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   60.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CuW
_chemical_formula_sum   'Mg6 Cu1 W1'
_cell_volume   148.11
_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  0.36  0.47  0.33  1.0
  Mg  Mg1  1  0.36  0.53  0.33  1.0
  Mg  Mg2  1  0.0  0.54  0.13  1.0
  Mg  Mg3  1  0.0  0.46  0.13  1.0
  Mg  Mg4  1  0.0  0.0  0.39  1.0
  Mg  Mg5  1  0.0  0.0  0.52  1.0
  Cu  Cu6  1  0.36  0.0  0.73  1.0
  W  W7  1  0.36  0.0  0.93  1.0

data_Mg6CuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   119.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CuW
_chemical_formula_sum   'Mg6 Cu1 W1'
_cell_volume   148.11
_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  0.54  0.87  1.0
  Mg  Mg1  1  0.0  0.0  0.48  1.0
  Mg  Mg2  1  0.0  0.0  0.61  1.0
  Mg  Mg3  1  0.0  0.46  0.87  1.0
  Mg  Mg4  1  0.64  0.53  0.67  1.0
  Mg  Mg5  1  0.64  0.47  0.67  1.0
  Cu  Cu6  1  0.64  0.0  0.27  1.0
  W  W7  1  0.64  0.0  0.07  1.0

Mg Mg Mg Mg Mg Mg Cu W
(Mg)2Mg4WCu is Cubic alpha N2-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one magnesiomagnesium molecule and one Mg4WCu cluster. In the Mg4WCu cluster, there are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(2) atom. The Mg(1)-Mg(2) bond length is 0.36 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Mg(1) and one W(1) atom. The Mg(2)-W(1) bond length is 2.65 Å. In the third Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Mg(6) atom. The Mg(5)-Mg(6) bond length is 0.77 Å. In the fourth Mg site, Mg(6) is bonded in a distorted bent 120 degrees geometry to one Mg(5) and one Cu(1) atom. The Mg(6)-Cu(1) bond length is 2.12 Å. W(1) is bonded in a distorted single-bond geometry to one Mg(2) and one Cu(1) atom. The W(1)-Cu(1) bond length is 1.23 Å. Cu(1) is bonded in a 1-coordinate geometry to one Mg(6) and one W(1) atom.