data_SrHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.26
_cell_angle_alpha   106.3
_cell_angle_beta   106.3
_cell_angle_gamma   27.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgW2
_chemical_formula_sum   'Sr1 Hg1 W2'
_cell_volume   83.9
_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  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.07  0.0  0.52  1.0
  W  W2  1  0.55  0.0  0.68  1.0
  W  W3  1  0.6  0.0  0.36  1.0

data_SrHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.26
_cell_length_c   6.0
_cell_angle_alpha   106.3
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgW2
_chemical_formula_sum   'Sr1 Hg1 W2'
_cell_volume   83.9
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.52  0.07  1.0
  W  W2  1  0.0  0.36  0.6  1.0
  W  W3  1  0.0  0.68  0.55  1.0

Sr Hg W W
Sr Hg W W 0 2 - o - 0 0 + - o 0 1 o o - 0 1 o o o 1 3 - o o 1 1 + - o 1 2 o o o 2 3 o o o 