data_[K4Sr5]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [13.3252]
_cell_length_b [13.3252]
_cell_length_c [15.2188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [K4Sr5]
_chemical_formula_sum '[K4 Sr5]'
_cell_volume [2340.2410]
_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  3  0.0000  0.6700  0.5028  1
  K  K1  1  0.0000  0.0000  0.4885  1
  Sr  Sr2  3  0.0000  0.3420  0.4998  1
  Sr  Sr3  2  0.3333  0.6667  0.5019  1
]