data_TaHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.53
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   91.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Ge
_chemical_formula_sum   'Ta1 Hg2 Ge1'
_cell_volume   81.33
_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
  Ta  Ta3  1  0.4  0.0  0.49  1.0
  Hg  Hg1  1  0.12  0.76  0.72  1.0
  Hg  Hg2  1  0.67  0.76  0.26  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_TaHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.99
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Ge
_chemical_formula_sum   'Ta1 Hg2 Ge1'
_cell_volume   81.33
_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
  Ta  Ta0  1  0.6  0.51  0.0  1.0
  Hg  Hg1  1  0.33  0.74  0.24  1.0
  Hg  Hg2  1  0.88  0.28  0.24  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ta Hg Hg Ge
Ta Hg Hg Ge 0 1 o - o 0 2 o - o 1 3 o + + 2 3 + + o 