data_[K8Sr6Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2952]
_cell_length_b [4.5762]
_cell_length_c [11.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4Sr3Al2]
_chemical_formula_sum '[K8 Sr6 Al4]'
_cell_volume [903.1931]
_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  4  0.0893  0.0000  0.6195  1
  K  K1  4  0.1971  0.5000  0.8709  1
  Sr  Sr2  4  0.1325  0.5000  0.2966  1
  Sr  Sr3  2  0.0000  0.0000  0.0000  1
  Al  Al4  4  0.2464  0.0000  0.4437  1
]