data_HgAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   155.02
_cell_angle_beta   149.32
_cell_angle_gamma   39.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsP2
_chemical_formula_sum   'Hg1 As1 P2'
_cell_volume   82.05
_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  Hg1  1  0.0  0.92  0.13  1.0
  As  As0  1  0.0  0.0  0.25  1.0
  P  P2  1  0.0  0.0  0.86  1.0
  P  P3  1  0.57  0.0  0.39  1.0

data_HgAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.84
_cell_length_c   7.25
_cell_angle_alpha   105.34
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsP2
_chemical_formula_sum   'Hg1 As1 P2'
_cell_volume   82.05
_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  0.87  0.79  0.79  1.0
  As  As1  1  0.75  0.75  0.75  1.0
  P  P2  1  0.14  0.14  0.14  1.0
  P  P3  1  0.18  0.61  0.18  1.0

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