data_[Co1Ag1Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.7674]
_cell_length_b [4.5524]
_cell_length_c [4.6046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [CoAgRu2]
_chemical_formula_sum '[Co1 Ag1 Ru2]'
_cell_volume [58.0106]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Ag  Ag1  1  0.5000  0.0000  0.5000  1
  Ru  Ru2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  1  0.5000  0.5000  0.0000  1
]