data_[Nd2Fe2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4262]
_cell_length_b [4.2733]
_cell_length_c [8.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdFeGe2]
_chemical_formula_sum '[Nd2 Fe2 Ge4]'
_cell_volume [152.0303]
_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
[
  Nd  Nd0  2  0.3805  0.7500  0.7906  1.0
  Fe  Fe1  2  0.1209  0.7500  0.3905  1.0
  Ge  Ge2  2  0.0637  0.7500  0.1017  1.0
  Ge  Ge3  2  0.3133  0.2500  0.5007  1.0
]