data_NaIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Hg
_chemical_formula_sum   'Na1 In2 Hg1'
_cell_volume   106.42
_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  Na3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.4  0.0  0.48  1.0
  In  In2  1  0.4  0.0  0.42  1.0
  Hg  Hg0  1  0.0  0.0  0.45  1.0

data_NaIn2Hg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaIn2Hg
_chemical_formula_sum   'Na1 In2 Hg1'
_cell_volume   106.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  In  In1  1  0.4  0.0  0.42  1.0
  In  In2  1  0.4  0.0  0.48  1.0
  Hg  Hg3  1  0.0  0.0  0.45  1.0

Na In In Hg