data_YHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.76
_cell_angle_alpha   95.15
_cell_angle_beta   95.15
_cell_angle_gamma   33.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgW2
_chemical_formula_sum   'Y1 Hg1 W2'
_cell_volume   80.46
_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  Y3  1  0.59  0.0  0.88  1.0
  Hg  Hg0  1  0.04  0.0  0.34  1.0
  W  W1  1  0.52  0.0  0.16  1.0
  W  W2  1  0.06  0.0  0.21  1.0

data_YHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.02
_cell_length_c   5.76
_cell_angle_alpha   95.15
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgW2
_chemical_formula_sum   'Y1 Hg1 W2'
_cell_volume   80.46
_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  0.41  0.12  1.0
  Hg  Hg1  1  0.0  0.96  0.66  1.0
  W  W2  1  0.0  0.48  0.84  1.0
  W  W3  1  0.0  0.94  0.79  1.0

Y Hg W W