data_HgSbP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   143.55
_cell_angle_beta   131.08
_cell_angle_gamma   62.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbP2
_chemical_formula_sum   'Hg1 Sb1 P2'
_cell_volume   85.58
_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  0.0  0.94  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.39  0.81  1.0
  P  P2  1  0.81  0.0  0.13  1.0

data_HgSbP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.79
_cell_length_c   5.78
_cell_angle_alpha   114.46
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbP2
_chemical_formula_sum   'Hg1 Sb1 P2'
_cell_volume   85.58
_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  0.06  0.06  0.06  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.19  0.58  0.58  1.0
  P  P3  1  0.68  0.87  0.68  1.0

Hg Sb P P
Hg Sb P P 0 1 o o + 0 3 - o + 1 3 - o o 2 3 - o o 2 3 - + + 