data_[Sc6Be4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9417]
_cell_length_b [3.8001]
_cell_length_c [7.5548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(BeSi2)2]
_chemical_formula_sum '[Sc6 Be4 Si8]'
_cell_volume [278.8434]
_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  4  0.1644  0.5000  0.6670  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1099  0.5000  0.2821  1.0
  Si  Si3  4  0.0618  0.0000  0.3852  1.0
  Si  Si4  4  0.2144  0.5000  0.0641  1.0
]