data_[Sc8Mn16In12C12]
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
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4794]
_cell_length_b [5.4456]
_cell_length_c [13.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Mn4(InC)3]
_chemical_formula_sum '[Sc8 Mn16 In12 C12]'
_cell_volume [677.6172]
_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  0.0437  0.4210  0.3983  1
  Mn  Mn1  8  0.1051  0.0951  0.5639  1
  Mn  Mn2  8  0.2352  0.0760  0.9362  1
  In  In3  8  0.2136  0.6303  0.2527  1
  In  In4  4  0.0000  0.0073  0.7500  1
  C  C5  8  0.0891  0.2324  0.9992  1
  C  C6  4  0.2500  0.2500  0.5000  1
]