data_TbNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.92
_cell_angle_alpha   128.17
_cell_angle_beta   128.17
_cell_angle_gamma   44.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNiGe
_chemical_formula_sum   'Tb2 Ni2 Ge2'
_cell_volume   110.66
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.76  0.0  0.99  1.0
  Tb  Tb1  1  0.92  0.0  0.17  1.0
  Ni  Ni2  1  0.73  0.0  0.15  1.0
  Ni  Ni3  1  0.95  0.0  0.0  1.0
  Ge  Ge4  1  0.71  0.0  0.04  1.0
  Ge  Ge5  1  0.97  0.0  0.12  1.0

data_TbNiGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.17
_cell_length_b   5.55
_cell_length_c   5.59
_cell_angle_alpha   76.79
_cell_angle_beta   68.08
_cell_angle_gamma   67.94
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbNiGe
_chemical_formula_sum   'Tb2 Ni2 Ge2'
_cell_volume   110.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tb  Tb0  2  0.0  0.48  0.09  1.0
  Ni  Ni1  2  0.0  0.31  0.08  1.0
  Ge  Ge2  2  0.0  0.41  0.96  1.0

Tb Tb Ni Ni Ge Ge
Tb Tb Ni Ni Ge Ge 0 4 o o + 1 5 o o o 2 4 o o o 3 5 o o o 