data_SrZr2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.94
_cell_angle_alpha   94.05
_cell_angle_beta   94.05
_cell_angle_gamma   35.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Ti
_chemical_formula_sum   'Sr1 Zr2 Ti1'
_cell_volume   108.29
_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  0.67  0.0  0.46  1.0
  Zr  Zr2  1  0.15  0.0  0.24  1.0
  Zr  Zr3  1  0.19  0.0  0.68  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0

data_SrZr2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.18
_cell_length_c   6.94
_cell_angle_alpha   94.05
_cell_angle_beta   90.0
_cell_angle_gamma   107.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Ti
_chemical_formula_sum   'Sr1 Zr2 Ti1'
_cell_volume   108.29
_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  0.0  0.33  0.54  1.0
  Zr  Zr1  1  0.0  0.81  0.32  1.0
  Zr  Zr2  1  0.0  0.85  0.76  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

Sr Zr Zr Ti
Sr Zr Zr Ti 0 1 o o o 0 1 + o o 0 2 o o o 0 2 + o o 0 0 + - o 1 3 o o o 1 2 o o o 2 3 o o + 2 2 + - o 