data_Hf2MgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgCl
_chemical_formula_sum   'Hf2 Mg1 Cl1'
_cell_volume   82.63
_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
  Hf  Hf1  1  0.58  0.0  0.55  1.0
  Hf  Hf2  1  0.0  0.58  0.55  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.58  0.58  0.0  1.0

data_Hf2MgCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MgCl
_chemical_formula_sum   'Hf4 Mg2 Cl2'
_cell_volume   165.26
_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
  Hf  Hf0  4  0.29  0.29  0.55  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.08  0.5  0.0  1.0

Hf Hf Mg Cl
Hf Hf Mg Cl 0 2 o o + 0 2 + o o 0 2 + o + 0 3 o - o 0 3 o - + 0 3 o o + 0 1 + - o 0 0 o o + 1 3 - o o 1 3 - o + 1 3 o o + 1 2 o o + 1 2 o + o 1 2 o + + 1 1 o o + 2 3 - - o 2 2 o o + 3 3 o o + 
MgHf2Cl crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), eight equivalent Hf(1), and one Cl(1) atom. Both Mg(1)-Mg(1) bond lengths are 3.11 Å. There are a spread of Mg(1)-Hf(1) bond distances ranging from 2.58-3.44 Å. The Mg(1)-Cl(1) bond length is 3.08 Å. Hf(1) is bonded in a 2-coordinate geometry to four equivalent Mg(1) and four equivalent Cl(1) atoms. There are a spread of Hf(1)-Cl(1) bond distances ranging from 2.58-3.44 Å. Cl(1) is bonded in a 9-coordinate geometry to one Mg(1) and eight equivalent Hf(1) atoms.