data_CaTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.06
_cell_angle_alpha   103.53
_cell_angle_beta   103.53
_cell_angle_gamma   41.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcPb2
_chemical_formula_sum   'Ca1 Tc1 Pb2'
_cell_volume   99.82
_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  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.95  0.0  0.94  1.0
  Pb  Pb1  1  0.12  0.0  0.14  1.0
  Pb  Pb2  1  0.78  0.0  0.74  1.0

data_CaTcPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.04
_cell_length_c   6.06
_cell_angle_alpha   103.53
_cell_angle_beta   90.0
_cell_angle_gamma   110.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcPb2
_chemical_formula_sum   'Ca1 Tc1 Pb2'
_cell_volume   99.82
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.05  0.06  1.0
  Pb  Pb2  1  0.0  0.22  0.26  1.0
  Pb  Pb3  1  0.0  0.88  0.86  1.0

Ca Tc Pb Pb