data_[Ta2Si4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8537]
_cell_length_b [3.3342]
_cell_length_c [5.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaSi2Pb]
_chemical_formula_sum '[Ta2 Si4 Pb2]'
_cell_volume [167.3602]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.5000  1
  Si  Si1  4  0.2378  0.5000  0.6412  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
]