data_[Gd2Ni4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.0602]
_cell_length_b [5.9025]
_cell_length_c [5.5075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GdNi2Ge]
_chemical_formula_sum '[Gd2 Ni4 Ge2]'
_cell_volume [131.9899]
_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
[
  Gd  Gd0  2  0.0000  0.9038  0.1381  1
  Ni  Ni1  2  0.0000  0.3625  0.8818  1
  Ni  Ni2  2  0.0000  0.7123  0.6281  1
  Ge  Ge3  2  0.0000  0.3845  0.3520  1
]