data_TbCoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   4.21
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCoSi
_chemical_formula_sum   'Tb4 Co4 Si4'
_cell_volume   200.01
_cell_formula_units_Z   4
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  Tb8  1  0.14  0.05  0.26  1.0
  Tb  Tb9  1  0.62  0.05  0.15  1.0
  Tb  Tb10  1  0.34  0.16  0.67  1.0
  Tb  Tb11  1  0.82  0.16  0.57  1.0
  Co  Co0  1  0.48  0.16  0.46  1.0
  Co  Co1  1  1.0  0.16  0.95  1.0
  Co  Co2  1  0.97  0.05  0.88  1.0
  Co  Co3  1  0.49  0.05  0.36  1.0
  Si  Si4  1  0.14  0.16  0.73  1.0
  Si  Si5  1  0.62  0.16  0.68  1.0
  Si  Si6  1  0.34  0.05  0.15  1.0
  Si  Si7  1  0.82  0.05  0.09  1.0

data_TbCoSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.21
_cell_length_b   6.83
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbCoSi
_chemical_formula_sum   'Tb4 Co4 Si4'
_cell_volume   200.01
_cell_formula_units_Z   4
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  0.05  0.15  0.34  1.0
  Tb  Tb1  2  0.05  0.26  0.86  1.0
  Co  Co2  2  0.05  0.05  1.0  1.0
  Co  Co3  2  0.05  0.54  0.51  1.0
  Si  Si4  2  0.05  0.27  0.14  1.0
  Si  Si5  2  0.05  0.32  0.66  1.0

Tb Tb Tb Tb Co Co Co Co Si Si Si Si
Tb Tb Tb Tb Co Co Co Co Si Si Si Si 0 10 o o o 1 7 o o o 1 11 o o o 1 10 o o o 2 8 o o o 2 4 o o o 2 9 o o o 3 9 o o o 4 7 o o o 4 9 o o o 5 6 o o o 5 8 + o o 5 11 o o + 6 8 + o o 6 11 o o + 7 10 o o o 