data_[K2Mn4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7179]
_cell_length_b [2.8975]
_cell_length_c [7.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMn2Ni]
_chemical_formula_sum '[K2 Mn4 Ni2]'
_cell_volume [178.8338]
_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  0.2599  0.5000  0.2636  1
  Mn  Mn1  2  0.2434  0.0000  0.7143  1
  Mn  Mn2  2  0.4829  0.5000  0.8933  1
  Ni  Ni3  2  0.0138  0.5000  0.6288  1
]