data_TaHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.37
_cell_angle_alpha   95.35
_cell_angle_beta   95.35
_cell_angle_gamma   33.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgGe2
_chemical_formula_sum   'Ta1 Hg1 Ge2'
_cell_volume   76.74
_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  0.63  0.0  0.67  1.0
  Ge  Ge0  1  0.18  0.0  0.23  1.0
  Ge  Ge1  1  0.09  0.0  0.12  1.0

data_TaHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.11
_cell_length_c   5.37
_cell_angle_alpha   95.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgGe2
_chemical_formula_sum   'Ta1 Hg1 Ge2'
_cell_volume   76.74
_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  0.37  0.33  1.0
  Ge  Ge2  1  0.0  0.82  0.77  1.0
  Ge  Ge3  1  0.0  0.91  0.88  1.0

Ta Hg Ge Ge