data_[Sc6Zn4Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9992]
_cell_length_b [4.3237]
_cell_length_c [8.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(ZnGa2)2]
_chemical_formula_sum '[Sc6 Zn4 Ga8]'
_cell_volume [320.7447]
_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  0.1652  0.5000  0.6673  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1132  0.5000  0.2813  1.0
  Ga  Ga3  4  0.0585  0.0000  0.3896  1.0
  Ga  Ga4  4  0.2193  0.5000  0.0571  1.0
]