data_TaGaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaGe
_chemical_formula_sum   'Ta1 Ga1 Ge1'
_cell_volume   50.22
_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  Ta2  1  0.32  0.34  0.76  1.0
  Ga  Ga0  1  0.0  0.0  0.42  1.0
  Ge  Ge1  1  0.0  0.68  0.53  1.0

data_TaGaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaGe
_chemical_formula_sum   'Ta1 Ga1 Ge1'
_cell_volume   50.22
_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  0.76  0.32  0.34  1.0
  Ga  Ga1  1  0.42  0.0  0.0  1.0
  Ge  Ge2  1  0.53  0.0  0.68  1.0

Ta Ga Ge
Ta Ga Ge 0 1 o o o 1 2 o - o 