data_Mg2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   135.23
_cell_angle_beta   135.23
_cell_angle_gamma   65.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgW
_chemical_formula_sum   'Mg2 Hg1 W1'
_cell_volume   74.09
_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  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.03  0.0  0.25  1.0
  Hg  Hg0  1  0.0  0.03  0.25  1.0
  W  W3  1  0.0  0.0  0.49  1.0

data_Mg2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.33
_cell_angle_alpha   112.39
_cell_angle_beta   112.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgW
_chemical_formula_sum   'Mg2 Hg1 W1'
_cell_volume   74.09
_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
  Mg  Mg1  1  0.25  0.22  0.22  1.0
  Hg  Hg2  1  0.22  0.25  0.22  1.0
  W  W3  1  0.49  0.49  0.49  1.0

Mg Mg Hg W