data_[K2Cr2Ni2Se6]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5597]
_cell_length_b [3.7203]
_cell_length_c [9.5250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCrNiSe3]
_chemical_formula_sum '[K2 Cr2 Ni2 Se6]'
_cell_volume [274.6680]
_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  0.2344  0.2500  0.2552  1.0
  Cr  Cr1  2  0.3124  0.7500  0.8389  1.0
  Ni  Ni2  2  0.0851  0.2500  0.6003  1.0
  Se  Se3  2  0.1214  0.2500  0.8574  1.0
  Se  Se4  2  0.2262  0.7500  0.5514  1.0
  Se  Se5  2  0.4725  0.7500  0.1347  1.0
]