data_[Th4Mo4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [13.7315]
_cell_length_b [3.1165]
_cell_length_c [5.8085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ThMoPd]
_chemical_formula_sum '[Th4 Mo4 Pd4]'
_cell_volume [248.5685]
_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
[
  Th  Th0  4  0.1776  0.0000  0.2993  1
  Mo  Mo1  2  0.0000  0.0000  0.5409  1
  Mo  Mo2  2  0.5000  0.0000  0.2935  1
  Pd  Pd3  4  0.3568  0.0000  0.6168  1
]