data_[Nd4Ni3Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8637]
_cell_length_b [4.2774]
_cell_length_c [10.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Ni3Rh]
_chemical_formula_sum '[Nd4 Ni3 Rh1]'
_cell_volume [176.1677]
_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  0.1389  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8613  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6369  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3619  1.0
  Ni  Ni4  1  0.0000  0.0000  0.4319  1.0
  Ni  Ni5  1  0.0000  0.5000  0.5688  1.0
  Ni  Ni6  1  0.5000  0.0000  0.9194  1.0
  Rh  Rh7  1  0.5000  0.5000  0.0809  1.0
]