data_Na2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   121.0
_cell_angle_beta   121.0
_cell_angle_gamma   88.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReHg
_chemical_formula_sum   'Na2 Re1 Hg1'
_cell_volume   84.46
_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  0.0  1.0
  Na  Na2  1  0.44  0.0  0.78  1.0
  Re  Re3  1  0.0  0.0  0.55  1.0
  Hg  Hg0  1  0.0  0.44  0.78  1.0

data_Na2ReHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.95
_cell_angle_alpha   119.5
_cell_angle_beta   119.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReHg
_chemical_formula_sum   'Na2 Re1 Hg1'
_cell_volume   84.46
_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
  Na  Na1  1  0.22  0.0  0.66  1.0
  Re  Re2  1  0.45  0.0  0.45  1.0
  Hg  Hg3  1  0.66  0.44  0.66  1.0

Na Na Re Hg