data_CaTc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.17
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Pb
_chemical_formula_sum   'Ca1 Tc2 Pb1'
_cell_volume   84.61
_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
  Ca  Ca0  1  0.08  0.0  0.57  1.0
  Tc  Tc2  1  0.95  0.0  0.06  1.0
  Tc  Tc3  1  0.52  0.58  0.77  1.0
  Pb  Pb1  1  0.57  0.58  0.74  1.0

data_CaTc2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.17
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Pb
_chemical_formula_sum   'Ca1 Tc2 Pb1'
_cell_volume   84.61
_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
  Ca  Ca0  1  0.08  0.0  0.57  1.0
  Tc  Tc1  1  0.52  0.58  0.77  1.0
  Tc  Tc2  1  0.95  0.0  0.06  1.0
  Pb  Pb3  1  0.57  0.58  0.74  1.0

Ca Tc Tc Pb