data_[Cr2Tc2Ru4]
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 [8.8876]
_cell_length_b [2.6998]
_cell_length_c [4.6460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrTcRu2]
_chemical_formula_sum '[Cr2 Tc2 Ru4]'
_cell_volume [109.3987]
_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  0.2483  0.0000  0.7622  1
  Tc  Tc1  2  0.0053  0.5000  0.4971  1
  Ru  Ru2  2  0.2473  0.5000  0.2550  1
  Ru  Ru3  2  0.4991  0.5000  0.9857  1
]