data_[K4Be4Cr2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  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 [15.7690]
_cell_length_b [3.7552]
_cell_length_c [7.4495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Be2CrSe4]
_chemical_formula_sum '[K4 Be4 Cr2 Se8]'
_cell_volume [417.8698]
_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  0.1233  0.0000  0.5266  1.0
  Be  Be1  4  0.1786  0.5000  0.9863  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0352  0.5000  0.7995  1.0
  Se  Se4  4  0.2161  0.0000  0.1714  1.0
]