data_[K2Mn4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4797]
_cell_length_b [2.8372]
_cell_length_c [7.3269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMn2Ru]
_chemical_formula_sum '[K2 Mn4 Ru2]'
_cell_volume [175.5907]
_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  0.2465  0.0000  0.7369  1
  Mn  Mn1  2  0.0211  0.0000  0.1031  1
  Mn  Mn2  2  0.2505  0.5000  0.2791  1
  Ru  Ru3  2  0.4819  0.0000  0.3809  1
]