data_[Cu4As2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6353]
_cell_length_b [3.0988]
_cell_length_c [4.3488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2AsRu]
_chemical_formula_sum '[Cu4 As2 Ru2]'
_cell_volume [109.8185]
_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
[
  Cu  Cu0  2  0.0091  0.0000  0.9475  1
  Cu  Cu1  2  0.2603  0.0000  0.8040  1
  As  As2  2  0.2494  0.5000  0.3186  1
  Ru  Ru3  2  0.4811  0.0000  0.4299  1
]