data_[Tm2Mg6Pd4]
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 [Pmc2_1]
_cell_length_a [4.0185]
_cell_length_b [8.5349]
_cell_length_c [7.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TmMg3Pd2]
_chemical_formula_sum '[Tm2 Mg6 Pd4]'
_cell_volume [241.6353]
_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
[
  Tm  Tm0  2  0.5000  0.4148  0.5340  1
  Mg  Mg1  2  0.0000  0.0776  0.4647  1
  Mg  Mg2  2  0.0000  0.3007  0.8635  1
  Mg  Mg3  2  0.5000  0.1817  0.1423  1
  Pd  Pd4  2  0.0000  0.3902  0.2418  1
  Pd  Pd5  2  0.5000  0.1161  0.7538  1
]