data_[Nd4Er12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6539]
_cell_length_b [8.4180]
_cell_length_c [8.0722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdEr3Ru]
_chemical_formula_sum '[Nd4 Er12 Ru4]'
_cell_volume [581.7400]
_cell_formula_units_Z [4]
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  4  0.0534  0.0000  0.3384  1.0
  Er  Er1  8  0.2432  0.3009  0.7902  1.0
  Er  Er2  4  0.0555  0.5000  0.2562  1.0
  Ru  Ru3  4  0.2458  0.5000  0.1038  1.0
]