data_[Tc4Pd4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9780]
_cell_length_b [3.8526]
_cell_length_c [5.4784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcPdRh3]
_chemical_formula_sum '[Tc4 Pd4 Rh12]'
_cell_volume [289.1942]
_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
[
  Tc  Tc0  4  0.2060  0.0000  0.3641  1
  Pd  Pd1  4  0.1002  0.5000  0.0499  1
  Rh  Rh2  4  0.0034  0.0000  0.2561  1
  Rh  Rh3  4  0.1015  0.5000  0.5461  1
  Rh  Rh4  4  0.2016  0.0000  0.8460  1
]