data_SnHgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgP
_chemical_formula_sum   'Sn2 Hg2 P2'
_cell_volume   146.2
_cell_formula_units_Z   2
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  Sn4  1  0.4  0.75  0.97  1.0
  Sn  Sn5  1  0.4  0.25  0.39  1.0
  Hg  Hg0  1  0.4  0.58  0.86  1.0
  Hg  Hg1  1  0.4  0.42  0.29  1.0
  P  P2  1  0.4  0.56  0.12  1.0
  P  P3  1  0.4  0.44  0.54  1.0

data_SnHgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   8.36
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnHgP
_chemical_formula_sum   'Sn4 Hg4 P4'
_cell_volume   292.48
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.25  0.0  0.03  1.0
  Sn  Sn1  2  0.25  0.5  0.61  1.0
  Hg  Hg2  2  0.08  0.5  0.71  1.0
  Hg  Hg3  2  0.42  0.0  0.14  1.0
  P  P4  2  0.06  0.5  0.46  1.0
  P  P5  2  0.44  0.0  0.88  1.0

Sn Sn Hg Hg P P