data_[Nd1Y1Fe2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4047]
_cell_length_b [4.2323]
_cell_length_c [8.2286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NdY(FeGe2)2]
_chemical_formula_sum '[Nd1 Y1 Fe2 Ge4]'
_cell_volume [148.7829]
_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
[
  Nd  Nd0  1  0.1087  0.5000  0.7066  1
  Y  Y1  1  0.8864  0.0000  0.2887  1
  Fe  Fe2  1  0.3820  0.5000  0.1110  1
  Fe  Fe3  1  0.6215  0.0000  0.8916  1
  Ge  Ge4  1  0.1864  0.0000  0.9993  1
  Ge  Ge5  1  0.4474  0.5000  0.3977  1
  Ge  Ge6  1  0.5512  0.0000  0.5999  1
  Ge  Ge7  1  0.8165  0.5000  0.0052  1
]