data_[K3Rb7]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [12.1003]
_cell_length_b [12.1003]
_cell_length_c [18.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [K3Rb7]
_chemical_formula_sum '[K3 Rb7]'
_cell_volume [2356.8353]
_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
[
  Rb  Rb0  6  0.2079  0.4157  0.5727  1
  K  K1  3  0.0000  0.5000  0.3797  1
  Rb  Rb2  1  0.0000  0.0000  0.4248  1
]