data_[K21Rb36Sr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.9569]
_cell_length_b [16.9569]
_cell_length_c [20.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K7Rb12Sr]
_chemical_formula_sum '[K21 Rb36 Sr3]'
_cell_volume [5117.2388]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  18  0.0328  0.5814  0.7057  1.0
  K  K1  18  0.0510  0.8701  0.8098  1.0
  Rb  Rb2  18  0.0659  0.4744  0.0859  1.0
  K  K3  3  0.0000  0.0000  0.5000  1.0
  Sr  Sr4  3  0.0000  0.0000  0.0000  1.0
]