data_NaHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   135.15
_cell_angle_beta   135.15
_cell_angle_gamma   65.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Ru
_chemical_formula_sum   'Na1 Hg2 Ru1'
_cell_volume   77.52
_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  Na2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.55  1.0
  Hg  Hg1  1  0.0  0.06  0.28  1.0
  Ru  Ru3  1  0.06  0.0  0.28  1.0

data_NaHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.41
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Ru
_chemical_formula_sum   'Na1 Hg2 Ru1'
_cell_volume   77.52
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.45  0.0  0.45  1.0
  Hg  Hg2  1  0.79  0.06  0.79  1.0
  Ru  Ru3  1  0.72  0.0  0.79  1.0

Na Hg Hg Ru
Na Hg Hg Ru 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 