data_Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn
_chemical_formula_sum   Sn4
_cell_volume   127.68
_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
  Sn  Sn0  1  0.79  0.47  0.82  1.0
  Sn  Sn1  1  0.79  0.53  0.85  1.0
  Sn  Sn2  1  0.79  0.56  0.18  1.0
  Sn  Sn3  1  0.79  0.44  0.49  1.0

data_Sn
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.64
_cell_length_b   9.69
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Sn
_chemical_formula_sum   Sn8
_cell_volume   255.38
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Sn  Sn0  4  0.03  0.5  0.01  1.0
  Sn  Sn1  4  0.06  0.5  0.35  1.0

Sn Sn Sn Sn