data_[Nd4Tm12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6589]
_cell_length_b [8.4205]
_cell_length_c [8.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTm3Ru]
_chemical_formula_sum '[Nd4 Tm12 Ru4]'
_cell_volume [583.5270]
_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  0.0531  0.0000  0.3364  1.0
  Tm  Tm1  8  0.2410  0.3009  0.7886  1.0
  Tm  Tm2  4  0.0564  0.5000  0.2556  1.0
  Ru  Ru3  4  0.2445  0.5000  0.1015  1.0
]