data_[K7Rb4Na1]
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
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8017]
_cell_length_b [4.8017]
_cell_length_c [45.7174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K7Rb4Na]
_chemical_formula_sum '[K7 Rb4 Na1]'
_cell_volume [912.8409]
_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  2  0.0000  0.0000  0.2569  1.0
  Rb  Rb1  2  0.3333  0.6667  0.0871  1.0
  Rb  Rb2  2  0.3333  0.6667  0.3442  1.0
  K  K3  2  0.3333  0.6667  0.5677  1.0
  K  K4  2  0.3333  0.6667  0.8256  1.0
  K  K5  1  0.0000  0.0000  0.0000  1.0
  Na  Na6  1  0.0000  0.0000  0.5000  1.0
]