data_[K6Al2Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6778]
_cell_length_b [11.5580]
_cell_length_c [7.8200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Al(CrSe3)2]
_chemical_formula_sum '[K6 Al2 Cr4 Se12]'
_cell_volume [578.6804]
_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  0.0000  0.1673  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3334  0.0000  1.0
  Se  Se4  8  0.2272  0.1674  0.1797  1.0
  Se  Se5  4  0.2253  0.5000  0.1799  1.0
]