data_[K2Tc4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9340]
_cell_length_b [5.2312]
_cell_length_c [9.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KTc2Ru]
_chemical_formula_sum '[K2 Tc4 Ru2]'
_cell_volume [147.0700]
_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  0.0000  0.0000  0.4978  1
  Tc  Tc1  2  0.0000  0.0000  0.0062  1
  Tc  Tc2  2  0.0000  0.5000  0.7084  1
  Ru  Ru3  2  0.0000  0.5000  0.2876  1
]