data_Ni2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.77
_cell_angle_alpha   100.23
_cell_angle_beta   100.23
_cell_angle_gamma   33.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgOs
_chemical_formula_sum   'Ni2 Hg1 Os1'
_cell_volume   56.47
_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  0.92  0.0  0.64  1.0
  Ni  Ni2  1  0.58  0.0  0.42  1.0
  Hg  Hg0  1  0.44  0.0  0.06  1.0
  Os  Os3  1  0.04  0.0  0.6  1.0

data_Ni2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.64
_cell_length_c   4.77
_cell_angle_alpha   100.23
_cell_angle_beta   90.0
_cell_angle_gamma   106.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgOs
_chemical_formula_sum   'Ni2 Hg1 Os1'
_cell_volume   56.47
_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  0.08  0.36  1.0
  Ni  Ni1  1  0.0  0.42  0.58  1.0
  Hg  Hg2  1  0.0  0.56  0.94  1.0
  Os  Os3  1  0.0  0.96  0.4  1.0

Ni Ni Hg Os