data_[Sm1Tm1Pd1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4471]
_cell_length_b [3.4471]
_cell_length_c [7.0142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmTmPdRu]
_chemical_formula_sum '[Sm1 Tm1 Pd1 Ru1]'
_cell_volume [83.3443]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.5000  0.5000  0.1196  1
  Tm  Tm1  1  0.5000  0.5000  0.5987  1
  Ru  Ru2  1  0.0000  0.0000  0.3685  1
  Pd  Pd3  1  0.0000  0.0000  0.8411  1
]