data_[K2Sr1Fe1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2442]
_cell_length_b [5.6829]
_cell_length_c [7.4205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [K2SrFe]
_chemical_formula_sum '[K2 Sr1 Fe1]'
_cell_volume [178.9786]
_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  2  0.0000  0.0000  0.2818  1
  Sr  Sr1  1  0.5000  0.5000  0.0000  1
  Fe  Fe2  1  0.5000  0.5000  0.5000  1
]