data_Ni3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   116.81
_cell_angle_beta   116.81
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Hg
_chemical_formula_sum   'Ni3 Hg1'
_cell_volume   54.02
_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  0.91  0.79  0.89  1.0
  Ni  Ni2  1  0.0  0.42  0.89  1.0
  Ni  Ni3  1  0.09  0.79  0.89  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0

data_Ni3Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   116.81
_cell_angle_beta   100.4
_cell_angle_gamma   100.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Hg
_chemical_formula_sum   'Ni3 Hg1'
_cell_volume   54.02
_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  0.89  0.79  0.1  1.0
  Ni  Ni1  1  0.89  0.89  0.47  1.0
  Ni  Ni2  1  0.89  0.98  0.1  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0

Ni Ni Ni Hg