data_Sr3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65
_cell_length_b   11.65
_cell_length_c   11.65
_cell_angle_alpha   21.5
_cell_angle_beta   21.5
_cell_angle_gamma   21.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Si
_chemical_formula_sum   'Sr3 Si1'
_cell_volume   186.08
_cell_formula_units_Z   1
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
  Sr  Sr1  1  0.0  0.0  0.51  1.0
  Sr  Sr2  1  0.0  0.0  0.07  1.0
  Sr  Sr3  1  0.0  0.0  0.63  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Sr3Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.53
_cell_length_b   4.35
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr3Si
_chemical_formula_sum   'Sr6 Si2'
_cell_volume   372.16
_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  '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
  Sr  Sr0  2  0.0  0.0  0.37  1.0
  Sr  Sr1  2  0.0  0.0  0.49  1.0
  Sr  Sr2  2  0.0  0.0  0.93  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Sr Sr Sr Si