data_CrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   163.38
_cell_angle_beta   154.86
_cell_angle_gamma   30.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2
_chemical_formula_sum   'Cr2 Tc4'
_cell_volume   91.17
_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  0.0  0.99  0.83  1.0
  Cr  Cr1  1  0.31  0.99  0.94  1.0
  Tc  Tc2  1  0.0  0.99  0.68  1.0
  Tc  Tc3  1  0.31  0.99  0.09  1.0
  Tc  Tc4  1  0.0  0.99  0.22  1.0
  Tc  Tc5  1  0.31  0.99  0.55  1.0

data_CrTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.63
_cell_length_b   3.96
_cell_length_c   9.09
_cell_angle_alpha   102.57
_cell_angle_beta   98.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrTc2
_chemical_formula_sum   'Cr2 Tc4'
_cell_volume   91.17
_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  0.1  0.94  0.1  1.0
  Tc  Tc1  2  0.05  0.2  0.05  1.0
  Tc  Tc2  2  0.49  0.34  0.49  1.0

Cr Cr Tc Tc Tc Tc