data_[Sc6Zn8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8021]
_cell_length_b [3.9662]
_cell_length_c [6.7255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(ZnSi)4]
_chemical_formula_sum '[Sc6 Zn8 Si8]'
_cell_volume [368.5060]
_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  0.1226  0.0000  0.1025  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  4  0.1553  0.5000  0.4524  1.0
  Zn  Zn3  4  0.1645  0.5000  0.8377  1.0
  Si  Si4  4  0.0011  0.5000  0.1770  1.0
  Si  Si5  4  0.2152  0.0000  0.7130  1.0
]