data_[Zn2Au2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9620]
_cell_length_b [3.3168]
_cell_length_c [6.1520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnAuC]
_chemical_formula_sum '[Zn2 Au2 C2]'
_cell_volume [98.0570]
_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
[
  Zn  Zn0  1  0.4146  0.5000  0.4708  1
  Zn  Zn1  1  0.9249  0.0000  0.2913  1
  Au  Au2  1  0.3758  0.0000  0.1266  1
  Au  Au3  1  0.7530  0.5000  0.9407  1
  C  C4  1  0.0504  0.5000  0.5442  1
  C  C5  1  0.8266  0.5000  0.6112  1
]