data_[Gd2Nb2Si1Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0302]
_cell_length_b [4.0302]
_cell_length_c [7.9177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Gd2Nb2SiGe]
_chemical_formula_sum '[Gd2 Nb2 Si1 Ge1]'
_cell_volume [128.6041]
_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  0.6478  1
  Gd  Gd1  1  0.5000  0.5000  0.3542  1
  Nb  Nb2  2  0.0000  0.5000  0.9970  1
  Si  Si3  1  0.5000  0.5000  0.7627  1
  Ge  Ge4  1  0.0000  0.0000  0.2413  1
]