data_SrTi2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.5
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   92.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Zn
_chemical_formula_sum   'Sr1 Ti2 Zn1'
_cell_volume   88.25
_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  Sr0  1  0.39  0.75  0.65  1.0
  Ti  Ti1  1  0.19  0.0  0.56  1.0
  Ti  Ti2  1  0.53  0.75  0.04  1.0
  Zn  Zn3  1  0.87  0.0  0.39  1.0

data_SrTi2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.5
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   92.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Zn
_chemical_formula_sum   'Sr1 Ti2 Zn1'
_cell_volume   88.25
_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  Sr0  1  0.39  0.75  0.65  1.0
  Ti  Ti1  1  0.19  0.0  0.56  1.0
  Ti  Ti2  1  0.53  0.75  0.04  1.0
  Zn  Zn3  1  0.87  0.0  0.39  1.0

Sr Ti Ti Zn