data_CrTc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   99.58
_cell_angle_beta   99.58
_cell_angle_gamma   33.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ru
_chemical_formula_sum   'Cr1 Tc2 Ru1'
_cell_volume   55.45
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.63  0.0  0.45  1.0
  Tc  Tc3  1  0.5  0.0  0.15  1.0
  Ru  Ru1  1  0.07  0.0  0.3  1.0

data_CrTc2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   99.58
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ru
_chemical_formula_sum   'Cr1 Tc2 Ru1'
_cell_volume   55.45
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.15  0.5  1.0
  Tc  Tc2  1  0.0  0.45  0.63  1.0
  Ru  Ru3  1  0.0  0.3  0.07  1.0

Cr Tc Tc Ru
Cr Tc Tc Ru 0 3 o o o 1 2 o o o 