data_[Y2Sc2Ga2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9260]
_cell_length_b [4.1990]
_cell_length_c [10.5039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YScGaGe]
_chemical_formula_sum '[Y2 Sc2 Ga2 Ge2]'
_cell_volume [173.1600]
_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
[
  Y  Y0  2  0.5000  0.0000  0.1403  1.0
  Sc  Sc1  2  0.0000  0.0000  0.8627  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5796  1.0
  Ge  Ge3  2  0.5000  0.0000  0.4173  1.0
]