data_[Sc1Ga1Ge1H1]
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
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8801]
_cell_length_b [3.8801]
_cell_length_c [4.8211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ScGaGeH]
_chemical_formula_sum '[Sc1 Ga1 Ge1 H1]'
_cell_volume [62.8575]
_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  1  0.0000  0.0000  0.9947  1
  Ga  Ga1  1  0.3333  0.6667  0.5731  1
  Ge  Ge2  1  0.6667  0.3333  0.3680  1
  H  H3  1  0.3333  0.6667  0.9830  1
]