data_TaHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   3.05
_cell_angle_alpha   105.43
_cell_angle_beta   105.43
_cell_angle_gamma   112.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgGe2
_chemical_formula_sum   'Ta1 Hg1 Ge2'
_cell_volume   76.17
_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  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.07  0.0  0.0  1.0
  Ge  Ge0  1  0.8  0.32  0.34  1.0
  Ge  Ge1  1  0.8  0.68  0.34  1.0

data_TaHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.38
_cell_length_c   5.56
_cell_angle_alpha   118.64
_cell_angle_beta   105.43
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgGe2
_chemical_formula_sum   'Ta1 Hg1 Ge2'
_cell_volume   76.17
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  -0.0  0.0  0.07  1.0
  Ge  Ge2  1  0.02  0.68  0.48  1.0
  Ge  Ge3  1  0.66  0.32  0.12  1.0

Ta Hg Ge Ge