data_[Nd4Sn1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1647]
_cell_length_b [4.5405]
_cell_length_c [11.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4SnGe3]
_chemical_formula_sum '[Nd4 Sn1 Ge3]'
_cell_volume [213.0106]
_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  0.0000  0.0000  0.8557  1.0
  Nd  Nd1  1  0.0000  0.5000  0.3637  1.0
  Nd  Nd2  1  0.5000  0.0000  0.1424  1.0
  Nd  Nd3  1  0.5000  0.5000  0.6306  1.0
  Sn  Sn4  1  0.5000  0.5000  0.9196  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5791  1.0
  Ge  Ge6  1  0.0000  0.5000  0.0911  1.0
  Ge  Ge7  1  0.5000  0.0000  0.4178  1.0
]