data_[Cr10Au2]
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 [Amm2]
_cell_length_a [4.2261]
_cell_length_b [3.0097]
_cell_length_c [12.5554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cr5Au]
_chemical_formula_sum '[Cr10 Au2]'
_cell_volume [159.6963]
_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  0.3431  1
  Cr  Cr1  2  0.0000  0.0000  0.7036  1
  Cr  Cr2  2  0.5000  0.0000  0.1945  1
  Cr  Cr3  2  0.5000  0.0000  0.5456  1
  Cr  Cr4  2  0.5000  0.0000  0.8609  1
  Au  Au5  2  0.0000  0.0000  0.0189  1
]