data_[Y2Tm2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [9.1869]
_cell_length_b [4.7669]
_cell_length_c [5.9029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTmPb2]
_chemical_formula_sum '[Y2 Tm2 Pb4]'
_cell_volume [232.9253]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.2483  0.0000  0.2439  1.0
]