data_CrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.97
_cell_angle_alpha   107.51
_cell_angle_beta   107.51
_cell_angle_gamma   34.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc
_chemical_formula_sum   'Cr3 Tc3'
_cell_volume   78.98
_cell_formula_units_Z   3
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  0.56  0.0  0.38  1.0
  Cr  Cr1  1  0.57  0.0  0.53  1.0
  Cr  Cr2  1  0.43  0.0  0.44  1.0
  Tc  Tc3  1  0.66  0.0  0.53  1.0
  Tc  Tc4  1  0.44  0.0  0.52  1.0
  Tc  Tc5  1  0.73  0.0  0.52  1.0

data_CrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.96
_cell_length_c   5.97
_cell_angle_alpha   107.51
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc
_chemical_formula_sum   'Cr3 Tc3'
_cell_volume   78.98
_cell_formula_units_Z   3
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  0.43  0.47  1.0
  Cr  Cr1  1  0.0  0.44  0.62  1.0
  Cr  Cr2  1  0.0  0.57  0.56  1.0
  Tc  Tc3  1  0.0  0.27  0.48  1.0
  Tc  Tc4  1  0.0  0.34  0.47  1.0
  Tc  Tc5  1  0.0  0.56  0.48  1.0

Cr Cr Cr Tc Tc Tc