data_NbHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   142.34
_cell_angle_beta   127.44
_cell_angle_gamma   66.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Os
_chemical_formula_sum   'Nb1 Hg2 Os1'
_cell_volume   77.55
_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  Nb2  1  0.0  0.0  0.85  1.0
  Hg  Hg0  1  0.0  0.0  0.01  1.0
  Hg  Hg1  1  0.76  0.0  0.36  1.0
  Os  Os3  1  0.0  0.41  0.04  1.0

data_NbHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.83
_cell_length_c   5.45
_cell_angle_alpha   116.28
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Os
_chemical_formula_sum   'Nb1 Hg2 Os1'
_cell_volume   77.55
_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  0.85  0.85  1.0
  Hg  Hg1  1  0.0  0.01  0.01  1.0
  Hg  Hg2  1  0.0  0.36  0.6  1.0
  Os  Os3  1  0.59  0.62  0.62  1.0

Nb Hg Hg Os