data_HgBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.57
_cell_angle_alpha   112.64
_cell_angle_beta   112.64
_cell_angle_gamma   35.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBP2
_chemical_formula_sum   'Hg1 B1 P2'
_cell_volume   73.35
_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  0.61  0.0  0.55  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.15  0.0  0.97  1.0
  P  P3  1  0.07  0.0  0.12  1.0

data_HgBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.97
_cell_length_c   5.57
_cell_angle_alpha   112.64
_cell_angle_beta   90.0
_cell_angle_gamma   107.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBP2
_chemical_formula_sum   'Hg1 B1 P2'
_cell_volume   73.35
_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  0.39  0.45  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.85  0.03  1.0
  P  P3  1  0.0  0.93  0.88  1.0

Hg B P P