data_[K8Rb2As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [10.5244]
_cell_length_b [10.5244]
_cell_length_c [6.6403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [K4RbAs4]
_chemical_formula_sum '[K8 Rb2 As8]'
_cell_volume [735.5034]
_cell_formula_units_Z [2]
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  8  0.1046  0.3386  0.6443  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  As  As2  8  0.1613  0.2803  0.1506  1
]