data_Ti2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.01
_cell_angle_alpha   159.72
_cell_angle_beta   159.72
_cell_angle_gamma   28.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Co
_chemical_formula_sum   'Ti4 Co2'
_cell_volume   87.91
_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
  Ti  Ti2  1  0.59  0.0  0.19  1.0
  Ti  Ti3  1  0.59  0.0  0.54  1.0
  Ti  Ti4  1  0.0  0.0  0.56  1.0
  Ti  Ti5  1  0.0  0.0  0.9  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.59  0.36  1.0

data_Ti2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   9.01
_cell_angle_alpha   100.14
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Co
_chemical_formula_sum   'Ti4 Co2'
_cell_volume   87.91
_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
  Ti  Ti0  1  0.1  0.0  0.1  1.0
  Ti  Ti1  1  0.44  0.0  0.44  1.0
  Ti  Ti2  1  0.46  0.0  0.05  1.0
  Ti  Ti3  1  0.81  0.0  0.4  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.22  0.59  0.22  1.0

Ti Ti Ti Ti Co Co
Ti Ti Ti Ti Co Co 0 2 + o o 0 5 + - o 0 5 o - - 1 3 + o o 1 4 + o + 1 5 + o + 1 5 + - o 2 5 o - o 3 4 o o + 3 5 o - o 3 5 o o + 