data_Ti2CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.98
_cell_angle_alpha   102.86
_cell_angle_beta   102.86
_cell_angle_gamma   37.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrCo
_chemical_formula_sum   'Ti2 Cr1 Co1'
_cell_volume   54.98
_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
  Ti  Ti2  1  0.11  0.0  0.62  1.0
  Ti  Ti3  1  0.86  0.0  0.22  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.49  0.0  0.42  1.0

data_Ti2CrCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.3
_cell_length_c   4.98
_cell_angle_alpha   102.86
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrCo
_chemical_formula_sum   'Ti2 Cr1 Co1'
_cell_volume   54.98
_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
  Ti  Ti0  1  0.0  0.14  0.78  1.0
  Ti  Ti1  1  0.0  0.89  0.38  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.51  0.58  1.0

Ti Ti Cr Co