data_[K2Cr10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [19.0395]
_cell_length_b [3.6981]
_cell_length_c [9.0812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCr5Se8]
_chemical_formula_sum '[K2 Cr10 Se16]'
_cell_volume [616.2799]
_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  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  4  0.1579  0.5000  0.9750  1.0
  Cr  Cr2  4  0.2043  0.5000  0.3336  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0759  0.5000  0.1517  1.0
  Se  Se5  4  0.0842  0.0000  0.8239  1.0
  Se  Se6  4  0.1708  0.0000  0.4882  1.0
  Se  Se7  4  0.2383  0.0000  0.1555  1.0
]