data_NiHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   3.45
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   107.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgSb2
_chemical_formula_sum   'Ni1 Hg1 Sb2'
_cell_volume   89.35
_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
  Ni  Ni1  1  0.26  0.0  0.98  1.0
  Hg  Hg0  1  0.35  0.72  0.14  1.0
  Sb  Sb2  1  0.23  0.72  0.59  1.0
  Sb  Sb3  1  0.29  0.0  0.8  1.0

data_NiHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.09
_cell_length_c   6.66
_cell_angle_alpha   107.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgSb2
_chemical_formula_sum   'Ni1 Hg1 Sb2'
_cell_volume   89.35
_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
  Ni  Ni0  1  0.0  0.74  0.02  1.0
  Hg  Hg1  1  0.28  0.65  0.86  1.0
  Sb  Sb2  1  0.0  0.71  0.2  1.0
  Sb  Sb3  1  0.28  0.77  0.41  1.0

Ni Hg Sb Sb