data_HgP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgP2W
_chemical_formula_sum   'Hg1 P2 W1'
_cell_volume   64.52
_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
  Hg  Hg0  1  0.08  0.0  0.0  1.0
  P  P1  1  0.54  0.61  0.62  1.0
  P  P2  1  0.54  0.39  0.62  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_HgP2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   92.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgP2W
_chemical_formula_sum   'Hg1 P2 W1'
_cell_volume   64.52
_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
  Hg  Hg0  1  0.0  0.08  0.0  1.0
  P  P1  1  0.62  0.54  0.39  1.0
  P  P2  1  0.62  0.54  0.61  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Hg P P W
Hg P P W 0 3 o o o 1 2 o o o 