data_NaHg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   7.51
_cell_angle_alpha   105.96
_cell_angle_beta   105.96
_cell_angle_gamma   51.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Br
_chemical_formula_sum   'Na1 Hg2 Br1'
_cell_volume   143.03
_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  0.45  0.0  0.88  1.0
  Hg  Hg1  1  0.81  0.0  0.01  1.0
  Hg  Hg2  1  0.48  0.0  0.4  1.0
  Br  Br0  1  0.28  0.0  0.58  1.0

data_NaHg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   5.05
_cell_length_c   7.51
_cell_angle_alpha   105.96
_cell_angle_beta   90.0
_cell_angle_gamma   115.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Br
_chemical_formula_sum   'Na1 Hg2 Br1'
_cell_volume   143.03
_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  0.55  0.12  1.0
  Hg  Hg1  1  0.0  0.19  0.99  1.0
  Hg  Hg2  1  0.0  0.52  0.6  1.0
  Br  Br3  1  0.0  0.72  0.42  1.0

Na Hg Hg Br