data_SnHgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.78
_cell_angle_alpha   105.6
_cell_angle_beta   105.6
_cell_angle_gamma   59.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgP2
_chemical_formula_sum   'Sn1 Hg1 P2'
_cell_volume   85.23
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.34  0.0  0.22  1.0
  P  P1  1  0.49  0.0  0.55  1.0
  P  P2  1  0.19  0.0  0.89  1.0

data_SnHgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.78
_cell_angle_alpha   105.6
_cell_angle_beta   90.0
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgP2
_chemical_formula_sum   'Sn1 Hg1 P2'
_cell_volume   85.23
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.66  0.78  1.0
  P  P2  1  0.0  0.51  0.45  1.0
  P  P3  1  0.0  0.81  0.11  1.0

Sn Hg P P