data_Mg2TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   5.05
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlW
_chemical_formula_sum   'Mg2 Tl1 W1'
_cell_volume   79.29
_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  0.52  0.52  0.2  1.0
  Mg  Mg1  1  0.47  0.0  0.49  1.0
  Tl  Tl2  1  0.07  0.52  0.62  1.0
  W  W3  1  0.03  0.0  0.25  1.0

data_Mg2TlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.05
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlW
_chemical_formula_sum   'Mg2 Tl1 W1'
_cell_volume   79.29
_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  0.47  0.0  0.49  1.0
  Mg  Mg1  1  0.52  0.52  0.2  1.0
  Tl  Tl2  1  0.07  0.52  0.62  1.0
  W  W3  1  0.03  0.0  0.25  1.0

Mg Mg Tl W
Mg Mg Tl W 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o o o 0 1 o + o 0 2 o o o 0 2 + o o 0 0 + o o 1 3 o o o 1 3 + o o 1 2 + o o 1 2 + - o 1 2 o o o 1 2 o - o 2 3 o o o 2 3 o + o 2 2 + o o 
Mg2WTl crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to four equivalent W(1) and four equivalent Tl(1) atoms. There are a spread of Mg(1)-W(1) bond distances ranging from 2.80-3.04 Å. There are a spread of Mg(1)-Tl(1) bond distances ranging from 2.62-3.57 Å. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent W(1) and four equivalent Tl(1) atoms. There is one shorter (1.80 Å) and one longer (2.08 Å) Mg(2)-W(1) bond length. There are a spread of Mg(2)-Tl(1) bond distances ranging from 2.76-3.22 Å. W(1) is bonded in a distorted L-shaped geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Tl(1) atoms. There is one shorter (3.11 Å) and one longer (3.30 Å) W(1)-Tl(1) bond length. Tl(1) is bonded in a 12-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), two equivalent W(1), and two equivalent Tl(1) atoms. Both Tl(1)-Tl(1) bond lengths are 2.90 Å.