data_[Tm1Sc3Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3643]
_cell_length_b [4.3643]
_cell_length_c [8.0705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [TmSc3Pb2]
_chemical_formula_sum '[Tm1 Sc3 Pb2]'
_cell_volume [153.7205]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Sc  Sc1  2  0.0000  0.5000  0.6648  1
  Sc  Sc2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  2  0.0000  0.5000  0.2903  1
]