data_[Ta4Ti12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8940]
_cell_length_b [27.3970]
_cell_length_c [4.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TaTi3Pb]
_chemical_formula_sum '[Ta4 Ti12 Pb4]'
_cell_volume [375.9622]
_cell_formula_units_Z [4]
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  4  0.0000  0.2219  0.2500  1
  Ti  Ti1  4  0.0000  0.3193  0.2500  1
  Ti  Ti2  4  0.0000  0.3722  0.7500  1
  Ti  Ti3  4  0.0000  0.4743  0.7500  1
  Pb  Pb4  4  0.0000  0.0748  0.7500  1
]