data_NbHgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   7.27
_cell_angle_alpha   157.85
_cell_angle_beta   157.85
_cell_angle_gamma   31.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgW
_chemical_formula_sum   'Nb1 Hg1 W1'
_cell_volume   54.66
_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  0.65  1.0
  Hg  Hg0  1  0.0  0.0  0.01  1.0
  W  W2  1  0.0  0.0  0.34  1.0

data_NbHgW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbHgW
_chemical_formula_sum   'Nb2 Hg2 W2'
_cell_volume   109.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.35  1.0
  Hg  Hg1  2  0.0  0.0  0.99  1.0
  W  W2  2  0.0  0.0  0.66  1.0

Nb Hg W