data_TaAsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   5.08
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   91.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsPb2
_chemical_formula_sum   'Ta1 As1 Pb2'
_cell_volume   94.53
_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  0.91  0.0  0.95  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.74  0.54  0.48  1.0
  Pb  Pb2  1  0.22  0.54  0.41  1.0

data_TaAsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.08
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   91.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsPb2
_chemical_formula_sum   'Ta1 As1 Pb2'
_cell_volume   94.53
_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  0.91  0.0  0.95  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.22  0.54  0.41  1.0
  Pb  Pb3  1  0.74  0.54  0.48  1.0

Ta As Pb Pb
Ta As Pb Pb 0 1 + o + 2 3 o o o 2 3 + o o 