data_NaHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   146.92
_cell_angle_beta   126.55
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgW2
_chemical_formula_sum   'Na1 Hg1 W2'
_cell_volume   78.81
_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
  Na  Na1  1  0.0  0.0  0.24  1.0
  Hg  Hg0  1  0.61  0.0  0.72  1.0
  W  W2  1  0.61  0.0  0.3  1.0
  W  W3  1  0.0  0.0  0.13  1.0

data_NaHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.1
_cell_length_c   5.66
_cell_angle_alpha   116.73
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgW2
_chemical_formula_sum   'Na1 Hg1 W2'
_cell_volume   78.81
_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
  Na  Na0  1  0.76  0.76  0.76  1.0
  Hg  Hg1  1  0.89  0.28  0.89  1.0
  W  W2  1  0.32  0.7  0.32  1.0
  W  W3  1  0.87  0.87  0.87  1.0

Na Hg W W
Na Hg W W 0 3 o o o 0 1 - o - 0 2 - o o 1 2 o o o 1 3 + o + 2 3 + o o 