data_[Tm4Mg8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6906]
_cell_length_b [14.0473]
_cell_length_c [6.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TmMg2Pd3]
_chemical_formula_sum '[Tm4 Mg8 Pd12]'
_cell_volume [427.4053]
_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
[
  Tm  Tm0  4  0.0000  0.3389  0.0000  1
  Mg  Mg1  4  0.0000  0.3292  0.5000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  8  0.0000  0.1647  0.2594  1
  Pd  Pd5  4  0.0000  0.5000  0.2692  1
]