data_TbGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   135.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbGa2Ni
_chemical_formula_sum   'Tb2 Ga4 Ni2'
_cell_volume   138.21
_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  0.05  0.27  0.99  1.0
  Tb  Tb1  1  0.05  0.73  0.66  1.0
  Ga  Ga2  1  0.05  0.4  0.28  1.0
  Ga  Ga3  1  0.05  0.6  0.37  1.0
  Ga  Ga4  1  0.05  0.4  0.7  1.0
  Ga  Ga5  1  0.05  0.6  0.96  1.0
  Ni  Ni6  1  0.05  0.12  0.99  1.0
  Ni  Ni7  1  0.05  0.88  0.66  1.0

data_TbGa2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.1
_cell_length_b   5.47
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.02
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbGa2Ni
_chemical_formula_sum   'Tb2 Ga4 Ni2'
_cell_volume   138.21
_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  0.27  0.27  0.34  1.0
  Ga  Ga1  2  0.4  0.4  0.04  1.0
  Ga  Ga2  2  0.4  0.4  0.63  1.0
  Ni  Ni3  2  0.12  0.12  0.34  1.0

Tb Tb Ga Ga Ga Ga Ni Ni
Tb Tb Ga Ga Ga Ga Ni Ni 0 6 o o o 0 4 o o o 0 5 o o o 1 7 o o o 1 4 o o o 1 5 o o o 2 3 o o o 4 5 o o o 