data_Y2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.73
_cell_angle_alpha   97.26
_cell_angle_beta   97.26
_cell_angle_gamma   37.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgW
_chemical_formula_sum   'Y2 Hg1 W1'
_cell_volume   98.52
_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
  Y  Y2  1  0.66  0.0  0.12  1.0
  Y  Y3  1  0.77  0.0  0.55  1.0
  Hg  Hg0  1  0.22  0.0  0.34  1.0
  W  W1  1  0.0  0.0  0.0  1.0

data_Y2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.93
_cell_length_c   6.73
_cell_angle_alpha   97.26
_cell_angle_beta   90.0
_cell_angle_gamma   108.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgW
_chemical_formula_sum   'Y2 Hg1 W1'
_cell_volume   98.52
_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
  Y  Y0  1  0.0  0.23  0.45  1.0
  Y  Y1  1  0.0  0.34  0.88  1.0
  Hg  Hg2  1  0.0  0.78  0.66  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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