data_[K2Cr2Ni4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5313]
_cell_length_b [2.8205]
_cell_length_c [6.6013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCrNi2]
_chemical_formula_sum '[K2 Cr2 Ni4]'
_cell_volume [157.3286]
_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  0.2447  0.5000  0.2325  1
  Cr  Cr1  2  0.0307  0.5000  0.6381  1
  Ni  Ni2  2  0.2552  0.0000  0.7343  1
  Ni  Ni3  2  0.4695  0.5000  0.8952  1
]