data_[Tm2Mg4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.9324]
_cell_length_b [4.7280]
_cell_length_c [9.8245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TmMg2Pb3]
_chemical_formula_sum '[Tm2 Mg4 Pb6]'
_cell_volume [322.0131]
_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
[
  Tm  Tm0  2  0.2500  0.0000  0.9464  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  2  0.2500  0.0000  0.2967  1
  Pb  Pb3  4  0.0183  0.5000  0.1656  1
  Pb  Pb4  2  0.2500  0.0000  0.6035  1
]