data_HgP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgP3
_chemical_formula_sum   'Hg1 P3'
_cell_volume   73.15
_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  0.72  0.0  0.0  1.0
  P  P1  1  0.86  0.12  0.31  1.0
  P  P2  1  0.86  0.88  0.31  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_HgP3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.61
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HgP3
_chemical_formula_sum   'Hg1 P3'
_cell_volume   73.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.72  1.0
  P  P1  2  0.31  0.12  0.86  1.0
  P  P2  1  0.0  0.0  0.0  1.0

Hg P P P