data_[Ta2Be4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1503]
_cell_length_b [3.0174]
_cell_length_c [5.0864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaBe2Pb]
_chemical_formula_sum '[Ta2 Be4 Pb2]'
_cell_volume [138.0762]
_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  0.0000  0.0000  0.5000  1
  Be  Be1  4  0.2337  0.5000  0.6383  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
]