data_Ca2FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.23
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   92.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeTc
_chemical_formula_sum   'Ca2 Fe1 Tc1'
_cell_volume   90.95
_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  0.02  0.0  0.62  1.0
  Ca  Ca1  1  0.54  0.62  0.94  1.0
  Fe  Fe2  1  0.86  0.0  0.78  1.0
  Tc  Tc3  1  0.43  0.62  0.86  1.0

data_Ca2FeTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.23
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   92.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeTc
_chemical_formula_sum   'Ca2 Fe1 Tc1'
_cell_volume   90.95
_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  0.02  0.0  0.62  1.0
  Ca  Ca1  1  0.54  0.62  0.94  1.0
  Fe  Fe2  1  0.86  0.0  0.78  1.0
  Tc  Tc3  1  0.43  0.62  0.86  1.0

Ca Ca Fe Tc