data_NaHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   3.2
_cell_angle_alpha   103.15
_cell_angle_beta   103.15
_cell_angle_gamma   112.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Ge
_chemical_formula_sum   'Na1 Hg2 Ge1'
_cell_volume   95.16
_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
  Hg  Hg1  1  0.0  0.54  0.46  1.0
  Hg  Hg2  1  0.0  0.46  0.46  1.0
  Ge  Ge0  1  0.31  0.0  0.0  1.0

data_NaHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   112.21
_cell_angle_beta   103.15
_cell_angle_gamma   103.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Ge
_chemical_formula_sum   'Na1 Hg2 Ge1'
_cell_volume   95.16
_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  0.46  0.0  0.46  1.0
  Hg  Hg2  1  0.46  0.0  0.54  1.0
  Ge  Ge3  1  0.0  0.31  0.0  1.0

Na Hg Hg Ge
Na Hg Hg Ge 0 3 o o o 1 2 o o o 