data_AlNi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.47
_cell_angle_alpha   104.08
_cell_angle_beta   104.08
_cell_angle_gamma   35.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Hg
_chemical_formula_sum   'Al1 Ni2 Hg1'
_cell_volume   57.14
_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  0.03  0.0  0.41  1.0
  Ni  Ni2  1  0.83  0.0  0.27  1.0
  Ni  Ni3  1  0.42  0.0  0.15  1.0
  Hg  Hg1  1  0.51  0.0  0.97  1.0

data_AlNi2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.47
_cell_length_c   4.76
_cell_angle_alpha   104.08
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Hg
_chemical_formula_sum   'Al1 Ni2 Hg1'
_cell_volume   57.14
_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  0.0  0.41  0.03  1.0
  Ni  Ni1  1  0.0  0.15  0.42  1.0
  Ni  Ni2  1  0.0  0.27  0.83  1.0
  Hg  Hg3  1  0.0  0.97  0.51  1.0

Al Ni Ni Hg