data_[Nd3Tm6Mg3Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [R-3m]
_cell_length_a [4.8250]
_cell_length_b [4.8250]
_cell_length_c [24.5416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdTm2MgPd4]
_chemical_formula_sum '[Nd3 Tm6 Mg3 Pd12]'
_cell_volume [494.8041]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  3  0.0000  0.0000  0.0000  1
  Tm  Tm1  6  0.0000  0.0000  0.2428  1
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd3  6  0.0000  0.0000  0.1263  1
  Pd  Pd4  6  0.0000  0.0000  0.3865  1
]