data_TbSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   150.09
_cell_angle_beta   150.09
_cell_angle_gamma   42.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSi2
_chemical_formula_sum   'Tb2 Si4'
_cell_volume   116.55
_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  0.0  0.01  0.62  1.0
  Tb  Tb1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.01  0.0  0.82  1.0
  Si  Si3  1  0.0  0.0  0.04  1.0
  Si  Si4  1  0.01  0.0  0.42  1.0
  Si  Si5  1  0.0  0.0  0.44  1.0

data_TbSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TbSi2
_chemical_formula_sum   'Tb4 Si8'
_cell_volume   233.1
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.39  1.0
  Tb  Tb1  2  0.5  0.5  0.0  1.0
  Si  Si2  2  0.0  0.0  0.19  1.0
  Si  Si3  2  0.0  0.0  0.58  1.0
  Si  Si4  2  0.5  0.5  0.56  1.0
  Si  Si5  2  0.5  0.5  0.96  1.0

Tb Tb Si Si Si Si