data_[Sc8Ga8Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8171]
_cell_length_b [4.1792]
_cell_length_c [10.0288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Ga2Sn]
_chemical_formula_sum '[Sc8 Ga8 Sn4]'
_cell_volume [416.4732]
_cell_formula_units_Z [4]
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  0.0218  0.5000  0.6903  1
  Sc  Sc1  4  0.1835  0.5000  0.1018  1
  Ga  Ga2  4  0.0544  0.0000  0.9057  1
  Ga  Ga3  4  0.1267  0.0000  0.5657  1
  Sn  Sn4  4  0.1938  0.0000  0.3206  1
]