data_[K8La12Os2I28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [10.1291]
_cell_length_b [10.1291]
_cell_length_c [22.4946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [K4La6OsI14]
_chemical_formula_sum '[K8 La12 Os2 I28]'
_cell_volume [2307.9236]
_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  0.1739  0.3261  0.2500  1
  La  La1  8  0.0921  0.7296  0.5000  1
  La  La2  4  0.0000  0.0000  0.3739  1
  Os  Os3  2  0.0000  0.0000  0.5000  1
  I  I4  16  0.0987  0.6917  0.3546  1
  I  I5  8  0.0929  0.3003  0.0000  1
  I  I6  4  0.0000  0.0000  0.2252  1
]