data_[Sc4Be2Au2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8108]
_cell_length_b [3.3423]
_cell_length_c [7.3208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2BeAuC]
_chemical_formula_sum '[Sc4 Be2 Au2 C2]'
_cell_volume [153.0795]
_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  2  0.0202  0.7500  0.8245  1.0
  Sc  Sc1  2  0.4288  0.2500  0.1687  1.0
  Be  Be2  2  0.3378  0.7500  0.4141  1.0
  Au  Au3  2  0.2254  0.2500  0.6121  1.0
  C  C4  2  0.2033  0.7500  0.1557  1.0
]