data_NbHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.35
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2P
_chemical_formula_sum   'Nb1 Hg2 P1'
_cell_volume   80.78
_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  0.19  0.68  0.09  1.0
  Hg  Hg0  1  0.07  0.68  0.11  1.0
  Hg  Hg1  1  0.45  0.0  0.95  1.0
  P  P3  1  0.88  0.0  0.94  1.0

data_NbHg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.35
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2P
_chemical_formula_sum   'Nb1 Hg2 P1'
_cell_volume   80.78
_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  0.19  0.68  0.09  1.0
  Hg  Hg1  1  0.07  0.68  0.11  1.0
  Hg  Hg2  1  0.45  0.0  0.95  1.0
  P  P3  1  0.88  0.0  0.94  1.0

Nb Hg Hg P