data_[K2Zr2Al2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5724]
_cell_length_b [7.0530]
_cell_length_c [9.2959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrAlSe4]
_chemical_formula_sum '[K2 Zr2 Al2 Se8]'
_cell_volume [403.2975]
_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  2  0.2598  0.2500  0.0441  1.0
  Zr  Zr1  2  0.2130  0.2500  0.5471  1.0
  Al  Al2  2  0.2407  0.7500  0.3451  1.0
  Se  Se3  4  0.0237  0.5044  0.6929  1.0
  Se  Se4  2  0.4407  0.7500  0.1785  1.0
  Se  Se5  2  0.4990  0.7500  0.5954  1.0
]