data_NiHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   131.64
_cell_angle_beta   131.64
_cell_angle_gamma   70.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Sb
_chemical_formula_sum   'Ni1 Hg2 Sb1'
_cell_volume   83.13
_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  Ni2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.35  1.0
  Hg  Hg1  1  0.0  0.19  0.17  1.0
  Sb  Sb3  1  0.19  0.0  0.17  1.0

data_NiHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.34
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Sb
_chemical_formula_sum   'Ni1 Hg2 Sb1'
_cell_volume   83.13
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.35  0.35  0.35  1.0
  Hg  Hg2  1  0.99  0.17  0.99  1.0
  Sb  Sb3  1  0.17  0.99  0.99  1.0

Ni Hg Hg Sb