data_KSr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.75
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Fe
_chemical_formula_sum   'K1 Sr2 Fe1'
_cell_volume   155.47
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.73  0.87  0.74  1.0
  Sr  Sr3  1  0.72  0.87  0.22  1.0
  Fe  Fe0  1  0.83  0.0  0.48  1.0

data_KSr2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.79
_cell_length_c   10.96
_cell_angle_alpha   91.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Fe
_chemical_formula_sum   'K1 Sr2 Fe1'
_cell_volume   155.47
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.13  0.27  0.26  1.0
  Sr  Sr2  1  0.13  0.28  0.78  1.0
  Fe  Fe3  1  0.0  0.17  0.52  1.0

K Sr Sr Fe