data_[Nd12In8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0262]
_cell_length_b [10.8380]
_cell_length_c [8.1877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3In2Ru]
_chemical_formula_sum '[Nd12 In8 Ru4]'
_cell_volume [703.1080]
_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  0.2249  0.3179  0.7711  1
  Nd  Nd1  4  0.1715  0.5000  0.1673  1
  In  In2  4  0.0000  0.1320  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.5000  0.5000  1
  Ru  Ru5  4  0.0000  0.2810  0.0000  1
]