data_[Cr2Co4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8407]
_cell_length_b [4.2001]
_cell_length_c [8.2050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CrCo2Ru]
_chemical_formula_sum '[Cr2 Co4 Ru2]'
_cell_volume [97.8952]
_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  0.0000  0.0000  0.5075  1
  Co  Co1  2  0.0000  0.0000  0.9879  1
  Co  Co2  2  0.0000  0.5000  0.7503  1
  Ru  Ru3  2  0.0000  0.5000  0.2542  1
]