data_[Co4Tc4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3413]
_cell_length_b [3.7266]
_cell_length_c [5.3563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoTcRu]
_chemical_formula_sum '[Co4 Tc4 Ru4]'
_cell_volume [157.6923]
_cell_formula_units_Z [4]
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
[
  Co  Co0  4  0.0005  0.0000  0.7462  1
  Tc  Tc1  4  0.1651  0.5000  0.5878  1
  Ru  Ru2  4  0.1637  0.5000  0.0820  1
]