data_Ni2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.12
_cell_angle_alpha   97.61
_cell_angle_beta   97.61
_cell_angle_gamma   35.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgOs
_chemical_formula_sum   'Ni2 Hg1 Os1'
_cell_volume   58.34
_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  0.14  0.0  0.04  1.0
  Ni  Ni2  1  0.59  0.0  0.03  1.0
  Hg  Hg0  1  0.87  0.0  0.53  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Ni2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.44
_cell_length_c   5.12
_cell_angle_alpha   97.61
_cell_angle_beta   90.0
_cell_angle_gamma   107.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgOs
_chemical_formula_sum   'Ni2 Hg1 Os1'
_cell_volume   58.34
_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  0.41  0.97  1.0
  Ni  Ni1  1  0.0  0.86  0.96  1.0
  Hg  Hg2  1  0.0  0.13  0.47  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Ni Ni Hg Os