data_[K2Sr2Nb2Se8]
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
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2493]
_cell_length_b [7.2459]
_cell_length_c [9.2378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSrNbSe4]
_chemical_formula_sum '[K2 Sr2 Nb2 Se8]'
_cell_volume [463.4497]
_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  0.2676  0.7500  0.0661  1.0
  Sr  Sr1  2  0.2278  0.7500  0.5502  1.0
  Nb  Nb2  2  0.2175  0.2500  0.3126  1.0
  Se  Se3  4  0.0032  0.0100  0.7353  1.0
  Se  Se4  2  0.4059  0.2500  0.5753  1.0
  Se  Se5  2  0.4210  0.2500  0.1477  1.0
]