data_[Co4As2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.9078]
_cell_length_b [4.6181]
_cell_length_c [8.0525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Co2AsRu]
_chemical_formula_sum '[Co4 As2 Ru2]'
_cell_volume [108.1351]
_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
[
  Co  Co0  2  0.0000  0.0000  0.9952  1
  Co  Co1  2  0.0000  0.5000  0.7618  1
  As  As2  2  0.0000  0.5000  0.2403  1
  Ru  Ru3  2  0.0000  0.0000  0.5027  1
]