data_SrFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.92
_cell_angle_alpha   109.37
_cell_angle_beta   109.37
_cell_angle_gamma   58.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe3
_chemical_formula_sum   'Sr1 Fe3'
_cell_volume   77.94
_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  Sr3  1  0.45  0.0  0.74  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.77  0.0  0.39  1.0
  Fe  Fe2  1  0.14  0.0  0.08  1.0

data_SrFe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.09
_cell_length_c   5.92
_cell_angle_alpha   109.37
_cell_angle_beta   90.0
_cell_angle_gamma   119.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe3
_chemical_formula_sum   'Sr1 Fe3'
_cell_volume   77.94
_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  0.55  0.26  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.23  0.61  1.0
  Fe  Fe3  1  0.0  0.86  0.92  1.0

Sr Fe Fe Fe