data_NbTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcHg
_chemical_formula_sum   'Nb1 Tc1 Hg1'
_cell_volume   52.78
_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  Nb1  1  0.0  0.0  0.1  1.0
  Tc  Tc2  1  0.0  0.69  0.74  1.0
  Hg  Hg0  1  0.33  0.34  0.79  1.0

data_NbTcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcHg
_chemical_formula_sum   'Nb1 Tc1 Hg1'
_cell_volume   52.78
_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  0.1  0.0  0.0  1.0
  Tc  Tc1  1  0.74  0.0  0.69  1.0
  Hg  Hg2  1  0.79  0.33  0.34  1.0

Nb Tc Hg
Nb Tc Hg 0 1 o - - 0 2 o o - 