data_HgOs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   134.63
_cell_angle_beta   134.63
_cell_angle_gamma   66.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2W
_chemical_formula_sum   'Hg1 Os2 W1'
_cell_volume   64.23
_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
  Hg  Hg0  1  0.95  0.0  0.12  1.0
  Os  Os1  1  0.0  0.0  0.23  1.0
  Os  Os2  1  0.0  0.95  0.12  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_HgOs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.05
_cell_angle_alpha   112.69
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2W
_chemical_formula_sum   'Hg1 Os2 W1'
_cell_volume   64.23
_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
  Hg  Hg0  1  0.88  0.0  0.83  1.0
  Os  Os1  1  0.77  0.0  0.77  1.0
  Os  Os2  1  0.83  0.95  0.83  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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