data_Nb2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.99
_cell_angle_alpha   102.43
_cell_angle_beta   102.43
_cell_angle_gamma   35.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgOs
_chemical_formula_sum   'Nb2 Hg1 Os1'
_cell_volume   71.3
_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
  Nb  Nb1  1  0.04  0.0  0.01  1.0
  Nb  Nb2  1  0.99  0.0  0.3  1.0
  Hg  Hg0  1  0.5  0.0  0.66  1.0
  Os  Os3  1  0.18  0.0  0.31  1.0

data_Nb2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.99
_cell_length_c   5.04
_cell_angle_alpha   102.43
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgOs
_chemical_formula_sum   'Nb2 Hg1 Os1'
_cell_volume   71.3
_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
  Nb  Nb0  1  0.0  0.01  0.04  1.0
  Nb  Nb1  1  0.0  0.3  0.99  1.0
  Hg  Hg2  1  0.0  0.66  0.5  1.0
  Os  Os3  1  0.0  0.31  0.18  1.0

Nb Nb Hg Os