data_[Nd12Er4Ru4]
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 [Imma]
_cell_length_a [8.7677]
_cell_length_b [9.4870]
_cell_length_c [7.5446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Nd3ErRu]
_chemical_formula_sum '[Nd12 Er4 Ru4]'
_cell_volume [627.5560]
_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  8  0.2500  0.0402  0.2500  1.0
  Nd  Nd1  4  0.0000  0.2500  0.9820  1.0
  Er  Er2  4  0.0000  0.2500  0.5283  1.0
  Ru  Ru3  4  0.2500  0.2500  0.7500  1.0
]