data_[K2Ba4Sr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8543]
_cell_length_b [7.1467]
_cell_length_c [14.5934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KBa2Sr]
_chemical_formula_sum '[K2 Ba4 Sr2]'
_cell_volume [506.2768]
_cell_formula_units_Z [2]
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  0.5050  1.0
  Ba  Ba1  2  0.0000  0.0000  0.9956  1.0
  Ba  Ba2  2  0.0000  0.5000  0.7546  1.0
  Sr  Sr3  2  0.0000  0.5000  0.2448  1.0
]