data_[La4Tm4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2594]
_cell_length_b [5.7365]
_cell_length_c [8.4799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaTmPd3]
_chemical_formula_sum '[La4 Tm4 Pd12]'
_cell_volume [441.2312]
_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
[
  La  La0  4  0.3816  0.0914  0.7762  1.0
  Tm  Tm1  4  0.0566  0.7243  0.3785  1.0
  Pd  Pd2  4  0.1495  0.2055  0.4213  1.0
  Pd  Pd3  4  0.2368  0.5457  0.6590  1.0
  Pd  Pd4  4  0.3802  0.6565  0.9672  1.0
]