data_[Gd1Sc1Ta2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9901]
_cell_length_b [3.9901]
_cell_length_c [7.7154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [GdSc(TaGe)2]
_chemical_formula_sum '[Gd1 Sc1 Ta2 Ge2]'
_cell_volume [122.8386]
_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
[
  Gd  Gd0  1  0.0000  0.0000  0.3584  1
  Sc  Sc1  1  0.5000  0.5000  0.6546  1
  Ta  Ta2  2  0.0000  0.5000  0.9963  1
  Ge  Ge3  1  0.0000  0.0000  0.7461  1
  Ge  Ge4  1  0.5000  0.5000  0.2482  1
]