data_[Sc4Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5577]
_cell_length_b [8.5911]
_cell_length_c [4.7369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Si2O7]
_chemical_formula_sum '[Sc4 Si4 O14]'
_cell_volume [260.1592]
_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  0.0000  0.3103  0.0000  1.0
  Si  Si1  4  0.2237  0.0000  0.4066  1.0
  O  O2  8  0.2348  0.1575  0.2115  1.0
  O  O3  4  0.1054  0.5000  0.2804  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]