data_[Sc6Mn6Al14Si10]
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
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.3081]
_cell_length_b [8.3081]
_cell_length_c [8.9621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Sc3Mn3Al7Si5]
_chemical_formula_sum '[Sc6 Mn6 Al14 Si10]'
_cell_volume [535.7311]
_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  6  0.2003  0.4005  0.2500  1
  Mn  Mn1  6  0.0000  0.5000  0.0000  1
  Al  Al2  12  0.1637  0.3273  0.5795  1
  Al  Al3  2  0.0000  0.0000  0.2500  1
  Si  Si4  6  0.1196  0.5598  0.7500  1
  Si  Si5  4  0.3333  0.6667  0.0398  1
]