data_[Ta1Ru2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1768]
_cell_length_b [3.1383]
_cell_length_c [7.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TaRu2Pb]
_chemical_formula_sum '[Ta1 Ru2 Pb1]'
_cell_volume [72.5561]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Ru  Ru1  2  0.0803  0.0000  0.7076  1
  Pb  Pb2  1  0.5000  0.5000  0.0000  1
]