data_Si3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   31.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3H
_chemical_formula_sum   'Si6 H2'
_cell_volume   406.65
_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
  Si  Si0  1  0.33  0.67  0.07  1.0
  Si  Si1  1  0.67  0.33  0.09  1.0
  Si  Si2  1  0.67  0.33  0.17  1.0
  Si  Si3  1  0.33  0.67  0.19  1.0
  Si  Si4  1  0.33  0.67  0.27  1.0
  Si  Si5  1  0.67  0.33  0.29  1.0
  H  H6  1  0.33  0.67  0.02  1.0
  H  H7  1  0.67  0.33  0.34  1.0

Si Si Si Si Si Si H H 0 6 o o o 0 1 o o o 0 1 o + o 0 1 - o o 1 2 o o o 2 3 o o o 2 3 o - o 2 3 + o o 3 4 o o o 4 5 - o o 4 5 o + o 4 5 o o o 5 7 o o o 
data_Si3H
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   31.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   Si3H
_chemical_formula_sum   'Si6 H2'
_cell_volume   406.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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
  Si  Si0  2  0.33  0.67  0.89  1.0
  Si  Si1  2  0.33  0.67  0.01  1.0
  Si  Si2  2  0.33  0.67  0.09  1.0
  H  H3  2  0.33  0.67  0.84  1.0
