data_[Y4Tm12Ru4]
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 [11.6180]
_cell_length_b [8.4339]
_cell_length_c [7.9157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTm3Ru]
_chemical_formula_sum '[Y4 Tm12 Ru4]'
_cell_volume [569.3417]
_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  4  0.0530  0.0000  0.3427  1.0
  Tm  Tm1  8  0.2450  0.3030  0.7907  1.0
  Tm  Tm2  4  0.0546  0.5000  0.2581  1.0
  Ru  Ru3  4  0.2469  0.5000  0.1166  1.0
]