data_[K36Rb21In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [25.4854]
_cell_length_b [25.4854]
_cell_length_c [8.2989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K12Rb7In]
_chemical_formula_sum '[K36 Rb21 In3]'
_cell_volume [4668.0535]
_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  18  -0.0000  0.4082  0.5000  1
  Rb  Rb1  18  0.0783  0.1565  0.8175  1
  K  K2  18  0.0942  0.5471  0.9902  1
  Rb  Rb3  3  0.0000  0.0000  0.5000  1
  In  In4  3  0.0000  0.0000  0.0000  1
]