data_Al2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.99
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgP
_chemical_formula_sum   'Al2 Hg1 P1'
_cell_volume   69.3
_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
  Al  Al0  1  0.52  1.0  0.61  1.0
  Al  Al1  1  0.0  0.0  0.31  1.0
  Hg  Hg2  1  0.52  1.0  0.79  1.0
  P  P3  1  0.0  0.0  0.58  1.0

data_Al2HgP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.03
_cell_length_b   3.99
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2HgP
_chemical_formula_sum   'Al2 Hg1 P1'
_cell_volume   69.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  1  0.0  0.5  0.31  1.0
  Al  Al1  1  0.52  0.5  0.61  1.0
  Hg  Hg2  1  0.52  0.5  0.79  1.0
  P  P3  1  0.0  0.5  0.58  1.0

Al Al Hg P