data_[Cr2Au4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0232]
_cell_length_b [4.3515]
_cell_length_c [9.1859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CrAu2C]
_chemical_formula_sum '[Cr2 Au4 C2]'
_cell_volume [120.8443]
_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  0.5000  0.0000  0.0046  1
  Au  Au1  2  0.0000  0.0000  0.3358  1
  Au  Au2  2  0.0000  0.0000  0.6377  1
  C  C3  2  0.0000  0.0000  0.8754  1
]