data_[Sc4Ga2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4395]
_cell_length_b [3.7752]
_cell_length_c [7.8832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2GaSi]
_chemical_formula_sum '[Sc4 Ga2 Si2]'
_cell_volume [154.1614]
_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  2  0.1992  0.2500  0.4264  1.0
  Sc  Sc1  2  0.2845  0.7500  0.0661  1.0
  Ga  Ga2  2  0.3767  0.7500  0.7086  1.0
  Si  Si3  2  0.1328  0.2500  0.7911  1.0
]