data_[Ta2Ni4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6526]
_cell_length_b [3.2234]
_cell_length_c [4.8926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaNi2Pb]
_chemical_formula_sum '[Ta2 Ni4 Pb2]'
_cell_volume [133.4267]
_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  0.2339  0.5000  0.1660  1
  Ni  Ni1  2  0.0005  0.0000  0.0150  1
  Ni  Ni2  2  0.2595  0.0000  0.7830  1
  Pb  Pb3  2  0.0061  0.5000  0.5360  1
]