data_TaRePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   131.37
_cell_angle_beta   131.37
_cell_angle_gamma   71.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRePb2
_chemical_formula_sum   'Ta1 Re1 Pb2'
_cell_volume   83.25
_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  Ta3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.19  0.16  1.0
  Pb  Pb0  1  0.19  0.0  0.16  1.0
  Pb  Pb1  1  0.0  0.0  0.33  1.0

data_TaRePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.32
_cell_angle_alpha   114.32
_cell_angle_beta   114.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRePb2
_chemical_formula_sum   'Ta1 Re1 Pb2'
_cell_volume   83.25
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.03  0.19  0.03  1.0
  Pb  Pb2  1  0.67  0.0  0.67  1.0
  Pb  Pb3  1  0.84  0.0  0.03  1.0

Ta Re Pb Pb