data_[Y12Tm4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [11.6921]
_cell_length_b [8.6012]
_cell_length_c [8.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3TmRu]
_chemical_formula_sum '[Y12 Tm4 Ru4]'
_cell_volume [588.5409]
_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
[
  Y  Y0  8  0.2466  0.1969  0.2899  1.0
  Y  Y1  4  0.0521  0.5000  0.8449  1.0
  Tm  Tm2  4  0.0528  0.0000  0.7544  1.0
  Ru  Ru3  4  0.2473  0.0000  0.6275  1.0
]