data_[Y4Tm4Ru4]
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 [P2_1/c]
_cell_length_a [6.7125]
_cell_length_b [6.7427]
_cell_length_c [8.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YTmRu]
_chemical_formula_sum '[Y4 Tm4 Ru4]'
_cell_volume [298.6259]
_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  0.2207  0.1660  0.9213  1
  Tm  Tm1  4  0.2819  0.6640  0.0805  1
  Ru  Ru2  4  0.2613  0.5076  0.7579  1
]