data_CaTc2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.62
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   92.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Pd
_chemical_formula_sum   'Ca1 Tc2 Pd1'
_cell_volume   73.57
_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
  Ca  Ca0  1  0.79  0.0  0.46  1.0
  Tc  Tc2  1  0.14  0.0  0.18  1.0
  Tc  Tc3  1  0.37  0.81  0.24  1.0
  Pd  Pd1  1  0.31  0.81  0.28  1.0

data_CaTc2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.62
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   92.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Pd
_chemical_formula_sum   'Ca1 Tc2 Pd1'
_cell_volume   73.57
_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
  Ca  Ca0  1  0.79  0.0  0.46  1.0
  Tc  Tc1  1  0.14  0.0  0.18  1.0
  Tc  Tc2  1  0.37  0.81  0.24  1.0
  Pd  Pd3  1  0.31  0.81  0.28  1.0

Ca Tc Tc Pd