data_NaYHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   134.92
_cell_angle_beta   134.92
_cell_angle_gamma   65.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYHg2
_chemical_formula_sum   'Na1 Y1 Hg2'
_cell_volume   101.61
_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
  Y  Y3  1  0.26  0.0  0.48  1.0
  Hg  Hg0  1  0.0  0.0  0.96  1.0
  Hg  Hg1  1  0.0  0.26  0.48  1.0

data_NaYHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.9
_cell_angle_alpha   112.54
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYHg2
_chemical_formula_sum   'Na1 Y1 Hg2'
_cell_volume   101.61
_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
  Y  Y1  1  0.52  0.0  0.78  1.0
  Hg  Hg2  1  0.04  0.0  0.04  1.0
  Hg  Hg3  1  0.78  0.26  0.78  1.0

Na Y Hg Hg