data_TaZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnGe
_chemical_formula_sum   'Ta1 Zn1 Ge1'
_cell_volume   51.35
_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  Ta1  1  0.48  0.85  0.25  1.0
  Zn  Zn2  1  0.0  0.0  0.52  1.0
  Ge  Ge0  1  1.0  0.71  0.01  1.0

data_TaZnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnGe
_chemical_formula_sum   'Ta1 Zn1 Ge1'
_cell_volume   51.35
_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  0.48  0.85  0.25  1.0
  Zn  Zn1  1  0.0  0.0  0.52  1.0
  Ge  Ge2  1  1.0  0.71  0.01  1.0

Ta Zn Ge
Ta Zn Ge 0 2 - o o 0 2 o o o 0 1 o + o 0 1 + + o 0 1 o o o 1 1 + + o 1 1 o + o 1 1 + o o 