data_Hg2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   4.06
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   110.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiP
_chemical_formula_sum   'Hg2 Bi1 P1'
_cell_volume   103.0
_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  0.6  0.03  0.08  1.0
  Hg  Hg2  1  0.63  0.03  0.9  1.0
  Bi  Bi0  1  0.61  0.0  0.49  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Hg2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.08
_cell_length_c   5.32
_cell_angle_alpha   110.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiP
_chemical_formula_sum   'Hg2 Bi1 P1'
_cell_volume   103.0
_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  0.97  0.37  0.1  1.0
  Hg  Hg1  1  0.97  0.4  0.92  1.0
  Bi  Bi2  1  0.0  0.39  0.51  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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