data_[Sc2Au2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6217]
_cell_length_b [4.7412]
_cell_length_c [5.8366]
_cell_angle_alpha [90.7874]
_cell_angle_beta [106.6696]
_cell_angle_gamma [91.0795]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ScAuC]
_chemical_formula_sum '[Sc2 Au2 C2]'
_cell_volume [95.9744]
_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
[
  Sc  Sc0  1  0.5185  0.5080  0.3951  1
  Sc  Sc1  1  0.7705  0.0765  0.9538  1
  Au  Au2  1  0.0684  0.0623  0.5357  1
  Au  Au3  1  0.2233  0.5632  0.8025  1
  C  C4  1  0.3173  0.8155  0.1093  1
  C  C5  1  0.4085  0.0617  0.2343  1
]