data_[Nd1Gd1Ni2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [Pm]
_cell_length_a [4.2021]
_cell_length_b [4.2231]
_cell_length_c [8.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NdGd(NiGe2)2]
_chemical_formula_sum '[Nd1 Gd1 Ni2 Ge4]'
_cell_volume [148.7535]
_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  0.1129  0.5000  0.2159  1
  Gd  Gd1  1  0.8842  0.0000  0.7821  1
  Ni  Ni2  1  0.3309  0.5000  0.6398  1
  Ni  Ni3  1  0.6735  0.0000  0.3617  1
  Ge  Ge4  1  0.2444  0.0000  0.5030  1
  Ge  Ge5  1  0.4382  0.5000  0.9147  1
  Ge  Ge6  1  0.5558  0.0000  0.0823  1
  Ge  Ge7  1  0.7601  0.5000  0.5005  1
]