data_Ta2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   134.66
_cell_angle_beta   134.66
_cell_angle_gamma   66.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BePb
_chemical_formula_sum   'Ta2 Be1 Pb1'
_cell_volume   71.58
_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  Ta2  1  0.0  0.0  0.39  1.0
  Ta  Ta3  1  0.0  0.02  0.2  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.02  0.0  0.2  1.0

data_Ta2BePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.24
_cell_angle_alpha   112.67
_cell_angle_beta   112.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BePb
_chemical_formula_sum   'Ta2 Be1 Pb1'
_cell_volume   71.58
_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  0.61  0.0  0.61  1.0
  Ta  Ta1  1  0.82  0.02  0.82  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.8  0.0  0.82  1.0

Ta Ta Be Pb
Ta Ta Be Pb 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 