data_TaOsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   127.83
_cell_angle_beta   127.83
_cell_angle_gamma   76.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsPb2
_chemical_formula_sum   'Ta1 Os1 Pb2'
_cell_volume   83.4
_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
  Os  Os0  1  0.27  0.0  0.02  1.0
  Pb  Pb1  1  0.0  0.0  0.04  1.0
  Pb  Pb2  1  0.0  0.27  0.02  1.0

data_TaOsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.16
_cell_angle_alpha   116.08
_cell_angle_beta   116.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsPb2
_chemical_formula_sum   'Ta1 Os1 Pb2'
_cell_volume   83.4
_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
  Os  Os1  1  0.98  0.0  0.25  1.0
  Pb  Pb2  1  0.25  0.27  0.25  1.0
  Pb  Pb3  1  0.96  0.0  0.96  1.0

Ta Os Pb Pb