data_[Tc4Ni2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9370]
_cell_length_b [3.1595]
_cell_length_c [4.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc2NiPb]
_chemical_formula_sum '[Tc4 Ni2 Pb2]'
_cell_volume [133.7932]
_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
[
  Tc  Tc0  4  0.2359  0.0000  0.1848  1
  Ni  Ni1  2  0.0000  0.5000  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.5000  1
]