data_MgWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.07
_cell_angle_alpha   116.97
_cell_angle_beta   116.97
_cell_angle_gamma   31.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgWCl2
_chemical_formula_sum   'Mg1 W1 Cl2'
_cell_volume   85.28
_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  Mg2  1  0.1  0.0  0.93  1.0
  W  W3  1  0.29  0.0  0.5  1.0
  Cl  Cl0  1  1.0  0.0  0.33  1.0
  Cl  Cl1  1  0.9  0.0  0.62  1.0

data_MgWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.5
_cell_length_c   6.06
_cell_angle_alpha   63.08
_cell_angle_beta   75.61
_cell_angle_gamma   74.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgWCl2
_chemical_formula_sum   'Mg1 W1 Cl2'
_cell_volume   85.28
_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  0.18  0.93  1.0
  W  W1  1  0.0  0.79  0.5  1.0
  Cl  Cl2  1  0.0  0.28  0.62  1.0
  Cl  Cl3  1  0.0  0.67  0.33  1.0

Mg W Cl Cl
Mg W Cl Cl 0 3 - o o 1 2 - o o 