data_[Cr2Sb2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8531]
_cell_length_b [3.1985]
_cell_length_c [4.9917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrSbAu2]
_chemical_formula_sum '[Cr2 Sb2 Au4]'
_cell_volume [154.7456]
_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  0.5000  0.0000  1
  Sb  Sb1  2  0.0000  0.0000  0.5000  1
  Au  Au2  4  0.2374  0.0000  0.2320  1
]