data_[Sm2Th2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4085]
_cell_length_b [4.9772]
_cell_length_c [6.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmThPd]
_chemical_formula_sum '[Sm2 Th2 Pd2]'
_cell_volume [163.4846]
_cell_formula_units_Z [2]
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  2  0.4181  0.7500  0.7598  1
  Th  Th1  2  0.0691  0.7500  0.1792  1
  Pd  Pd2  2  0.1658  0.2500  0.4593  1
]