data_MgTa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2W
_chemical_formula_sum   'Mg1 Ta2 W1'
_cell_volume   72.78
_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
  Ta  Ta1  1  0.38  0.38  0.47  1.0
  Ta  Ta2  1  0.38  0.38  0.09  1.0
  W  W3  1  0.0  0.0  0.78  1.0

data_MgTa2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTa2W
_chemical_formula_sum   'Mg2 Ta4 W2'
_cell_volume   145.57
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.38  0.0  0.09  1.0
  Ta  Ta2  2  0.38  0.0  0.47  1.0
  W  W3  2  0.0  0.0  0.78  1.0

Mg Ta Ta W
Mg Ta Ta W 0 2 - o o 0 2 o - o 0 2 o o o 0 3 o o - 1 1 + o o 1 1 o + o 
MgTa2W crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 2-coordinate geometry to one Ta(2) and one W(1) atom. The Mg(1)-Ta(2) bond length is 1.73 Å. The Mg(1)-W(1) bond length is 2.11 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 9-coordinate geometry to one Ta(2), four equivalent Ta(1), and four equivalent W(1) atoms. The Ta(1)-Ta(2) bond length is 3.56 Å. All Ta(1)-Ta(1) bond lengths are 2.76 Å. There are a spread of Ta(1)-W(1) bond distances ranging from 3.35-3.85 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Mg(1) and one Ta(1) atom. W(1) is bonded in a single-bond geometry to one Mg(1) and four equivalent Ta(1) atoms.