data_[Th4Tc1Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8213]
_cell_length_b [4.5961]
_cell_length_c [11.0879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Th4TcPd3]
_chemical_formula_sum '[Th4 Tc1 Pd3]'
_cell_volume [194.7409]
_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
[
  Th  Th0  1  0.0000  0.0000  0.1372  1
  Th  Th1  1  0.0000  0.5000  0.8745  1
  Th  Th2  1  0.5000  0.0000  0.6321  1
  Th  Th3  1  0.5000  0.5000  0.3486  1
  Tc  Tc4  1  0.5000  0.5000  0.0975  1
  Pd  Pd5  1  0.0000  0.0000  0.4140  1
  Pd  Pd6  1  0.0000  0.5000  0.5923  1
  Pd  Pd7  1  0.5000  0.0000  0.9039  1
]