data_[Nd2Tm4Pb6]
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 [Pmma]
_cell_length_a [7.2287]
_cell_length_b [4.8677]
_cell_length_c [10.1284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdTm2Pb3]
_chemical_formula_sum '[Nd2 Tm4 Pb6]'
_cell_volume [356.3876]
_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
[
  Nd  Nd0  2  0.2500  0.0000  0.0712  1.0
  Tm  Tm1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  2  0.2500  0.0000  0.7125  1.0
  Pb  Pb3  4  0.0325  0.5000  0.8409  1.0
  Pb  Pb4  2  0.2500  0.0000  0.4015  1.0
]