data_[Sc3Cr1Ga3Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7624]
_cell_length_b [6.7624]
_cell_length_c [4.0356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sc3CrGa3Ge2]
_chemical_formula_sum '[Sc3 Cr1 Ga3 Ge2]'
_cell_volume [159.8223]
_cell_formula_units_Z [1]
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  3  0.0000  0.5807  0.0000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  3  0.0000  0.2414  0.5000  1.0
  Ge  Ge3  2  0.3333  0.6667  0.5000  1.0
]