data_CrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc
_chemical_formula_sum   'Cr2 Tc2'
_cell_volume   53.02
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.48  0.92  0.37  1.0
  Cr  Cr1  1  0.48  0.08  0.94  1.0
  Tc  Tc2  1  0.48  0.92  0.01  1.0
  Tc  Tc3  1  0.48  0.08  0.3  1.0

data_CrTc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.08
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrTc
_chemical_formula_sum   'Cr2 Tc2'
_cell_volume   53.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr0  2  0.0  0.08  0.78  1.0
  Tc  Tc1  2  0.0  0.08  0.15  1.0

Cr Cr Tc Tc