data_[Cr2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0816]
_cell_length_b [8.8424]
_cell_length_c [5.0350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrAu5]
_chemical_formula_sum '[Cr2 Au10]'
_cell_volume [212.8169]
_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  0.5000  1.0
  Au  Au1  4  0.0000  0.1626  0.0000  1.0
  Au  Au2  4  0.0000  0.3331  0.5000  1.0
  Au  Au3  2  0.0000  0.5000  0.0000  1.0
]