data_Sr2ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnSi
_chemical_formula_sum   'Sr2 Zn1 Si1'
_cell_volume   122.24
_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  0.57  0.0  0.71  1.0
  Sr  Sr2  1  0.0  0.0  0.02  1.0
  Zn  Zn3  1  0.57  0.0  0.96  1.0
  Si  Si0  1  0.0  0.0  0.8  1.0

data_Sr2ZnSi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2ZnSi
_chemical_formula_sum   'Sr2 Zn1 Si1'
_cell_volume   122.28
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.0  0.0  0.02  1.0
  Sr  Sr1  1  0.57  0.0  0.71  1.0
  Zn  Zn2  1  0.57  0.0  0.96  1.0
  Si  Si3  1  0.0  0.0  0.8  1.0

Sr Sr Zn Si
Sr Sr Zn Si 0 3 + o o 1 2 - o - 1 3 o o - 2 3 + o o 