data_SrZr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   91.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Fe
_chemical_formula_sum   'Sr1 Zr2 Fe1'
_cell_volume   97.36
_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  0.88  0.0  0.61  1.0
  Zr  Zr2  1  0.53  0.62  0.72  1.0
  Zr  Zr3  1  0.48  0.62  0.5  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_SrZr2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.23
_cell_angle_alpha   91.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Fe
_chemical_formula_sum   'Sr1 Zr2 Fe1'
_cell_volume   97.36
_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  0.12  0.39  1.0
  Zr  Zr1  1  0.38  0.47  0.28  1.0
  Zr  Zr2  1  0.38  0.52  0.5  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Sr Zr Zr Fe