data_NbHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.33
_cell_angle_alpha   95.72
_cell_angle_beta   95.72
_cell_angle_gamma   31.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgW2
_chemical_formula_sum   'Nb1 Hg1 W2'
_cell_volume   70.79
_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  0.16  0.0  0.33  1.0
  Hg  Hg0  1  0.58  0.0  0.63  1.0
  W  W2  1  0.14  0.0  0.26  1.0
  W  W3  1  0.98  0.0  0.02  1.0

data_NbHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.04
_cell_length_c   5.33
_cell_angle_alpha   95.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgW2
_chemical_formula_sum   'Nb1 Hg1 W2'
_cell_volume   70.79
_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  0.84  0.67  1.0
  Hg  Hg1  1  0.0  0.42  0.37  1.0
  W  W2  1  0.0  0.02  0.98  1.0
  W  W3  1  0.0  0.86  0.74  1.0

Nb Hg W W