data_Nb2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.16
_cell_angle_alpha   101.21
_cell_angle_beta   101.21
_cell_angle_gamma   33.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgPt
_chemical_formula_sum   'Nb2 Hg1 Pt1'
_cell_volume   72.24
_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  0.61  0.0  0.01  1.0
  Nb  Nb2  1  0.66  0.0  0.73  1.0
  Hg  Hg0  1  0.06  0.0  0.24  1.0
  Pt  Pt3  1  0.45  0.0  0.65  1.0

data_Nb2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.09
_cell_length_c   5.16
_cell_angle_alpha   101.21
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgPt
_chemical_formula_sum   'Nb2 Hg1 Pt1'
_cell_volume   72.24
_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  0.34  0.27  1.0
  Nb  Nb1  1  0.0  0.39  0.99  1.0
  Hg  Hg2  1  0.0  0.94  0.76  1.0
  Pt  Pt3  1  0.0  0.55  0.35  1.0

Nb Nb Hg Pt
Nb Nb Hg Pt 0 1 o o - 0 2 + o o 1 3 o o o 1 2 + o + 2 2 + - o 2 3 o o o 