data_[Cr1Ag1Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7681]
_cell_length_b [3.8126]
_cell_length_c [5.6168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CrAgRu2]
_chemical_formula_sum '[Cr1 Ag1 Ru2]'
_cell_volume [59.2770]
_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
[
  Cr  Cr0  1  0.5000  0.5000  0.7764  1
  Ag  Ag1  1  0.0000  0.0000  0.5037  1
  Ru  Ru2  1  0.0000  0.0000  0.0053  1
  Ru  Ru3  1  0.5000  0.5000  0.2146  1
]