data_[Sc8Mn16Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2147]
_cell_length_b [5.3187]
_cell_length_c [13.0089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Mn4(AuN)3]
_chemical_formula_sum '[Sc8 Mn16 Au12 N12]'
_cell_volume [620.9367]
_cell_formula_units_Z [4]
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  8  0.0498  0.4169  0.3951  1
  Mn  Mn1  8  0.1068  0.0750  0.5676  1
  Mn  Mn2  8  0.2240  0.0851  0.9326  1
  Au  Au3  8  0.2108  0.3707  0.7480  1
  Au  Au4  4  0.0000  0.0057  0.7500  1
  N  N5  8  0.0837  0.2499  0.0003  1
  N  N6  4  0.2500  0.2500  0.5000  1
]