data_[K3Rb6Sr3]
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 [R3m]
_cell_length_a [4.7478]
_cell_length_b [4.7478]
_cell_length_c [45.5576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KRb2Sr]
_chemical_formula_sum '[K3 Rb6 Sr3]'
_cell_volume [889.3557]
_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
[
  K  K0  3  0.0000  0.0000  0.3333  1.0
  Rb  Rb1  3  0.0000  0.0000  0.7523  1.0
  Rb  Rb2  3  0.0000  0.0000  0.9143  1.0
  Sr  Sr3  3  0.0000  0.0000  0.5000  1.0
]