data_[Ta1Mo2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0390]
_cell_length_b [4.3094]
_cell_length_c [5.8189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaMo2Pb]
_chemical_formula_sum '[Ta1 Mo2 Pb1]'
_cell_volume [75.7071]
_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  0.5896  0.5000  0.7923  1
  Mo  Mo1  1  0.0134  0.0000  0.0043  1
  Mo  Mo2  1  0.4072  0.5000  0.2068  1
  Pb  Pb3  1  0.9897  0.0000  0.4966  1
]