data_TaTcPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   150.34
_cell_angle_beta   150.34
_cell_angle_gamma   42.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcPb
_chemical_formula_sum   'Ta1 Tc1 Pb1'
_cell_volume   59.57
_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  Ta1  1  0.0  0.0  0.56  1.0
  Tc  Tc2  1  0.0  0.0  0.99  1.0
  Pb  Pb0  1  0.0  0.0  0.09  1.0

data_TaTcPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   111.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTcPb
_chemical_formula_sum   'Ta2 Tc2 Pb2'
_cell_volume   119.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.06  0.5  0.56  1.0
  Tc  Tc1  2  0.49  0.5  0.99  1.0
  Pb  Pb2  2  0.09  0.0  0.09  1.0

Ta Tc Pb
Ta Tc Pb 0 0 + o + 0 0 o + + 0 1 - o - 0 1 o - - 0 1 o o - 0 1 o o o 0 2 o o o 0 2 o o + 1 2 o o + 