data_[Nd12Tm4Pb12]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4377]
_cell_length_b [10.8964]
_cell_length_c [9.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3TmPb3]
_chemical_formula_sum '[Nd12 Tm4 Pb12]'
_cell_volume [896.9541]
_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
[
  Nd  Nd0  4  0.0000  0.1849  0.5000  1
  Nd  Nd1  4  0.0000  0.2305  0.0000  1
  Nd  Nd2  4  0.0769  0.5000  0.3106  1
  Tm  Tm3  4  0.2109  0.5000  0.9665  1
  Pb  Pb4  8  0.2380  0.2852  0.7413  1
  Pb  Pb5  4  0.0370  0.0000  0.7669  1
]