data_[Cr4Tc2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7885]
_cell_length_b [2.6699]
_cell_length_c [4.5487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr2TcRu]
_chemical_formula_sum '[Cr4 Tc2 Ru2]'
_cell_volume [105.1900]
_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
[
  Cr  Cr0  2  0.2482  0.0000  0.7440  1
  Cr  Cr1  2  0.4973  0.5000  0.9990  1
  Tc  Tc2  2  0.2514  0.5000  0.2408  1
  Ru  Ru3  2  0.0030  0.5000  0.5162  1
]