data_SrHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   7.17
_cell_angle_alpha   97.52
_cell_angle_beta   97.52
_cell_angle_gamma   40.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgW2
_chemical_formula_sum   'Sr1 Hg1 W2'
_cell_volume   96.14
_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
  Sr  Sr1  1  0.24  0.0  0.67  1.0
  Hg  Hg0  1  0.85  0.0  0.94  1.0
  W  W2  1  0.52  0.0  0.53  1.0
  W  W3  1  0.42  0.0  0.6  1.0

data_SrHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.58
_cell_length_c   7.17
_cell_angle_alpha   97.52
_cell_angle_beta   90.0
_cell_angle_gamma   110.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgW2
_chemical_formula_sum   'Sr1 Hg1 W2'
_cell_volume   96.14
_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
  Sr  Sr0  1  0.0  0.76  0.33  1.0
  Hg  Hg1  1  0.0  0.15  0.06  1.0
  W  W2  1  0.0  0.48  0.47  1.0
  W  W3  1  0.0  0.58  0.4  1.0

Sr Hg W W