data_[K2Mg2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6979]
_cell_length_b [2.8382]
_cell_length_c [6.5889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMgNi2]
_chemical_formula_sum '[K2 Mg2 Ni4]'
_cell_volume [176.6519]
_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  0.4834  0.0000  0.4674  1
  Mg  Mg1  2  0.3045  0.0000  0.9278  1
  Ni  Ni2  2  0.0289  0.0000  0.9408  1
  Ni  Ni3  2  0.1832  0.5000  0.1639  1
]