data_Ti3Co5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Co5
_chemical_formula_sum   'Ti6 Co10'
_cell_volume   204.67
_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  Ti10  1  0.64  0.35  0.64  1.0
  Ti  Ti11  1  0.87  0.69  0.21  1.0
  Ti  Ti12  1  0.72  0.0  0.64  1.0
  Ti  Ti13  1  0.36  0.35  0.21  1.0
  Ti  Ti14  1  0.26  0.0  0.21  1.0
  Ti  Ti15  1  0.13  0.69  0.64  1.0
  Co  Co0  1  0.19  0.4  0.21  1.0
  Co  Co1  1  0.32  0.64  0.64  1.0
  Co  Co2  1  0.62  0.0  0.21  1.0
  Co  Co3  1  0.81  0.4  0.64  1.0
  Co  Co4  1  0.0  0.03  0.0  1.0
  Co  Co5  1  0.0  0.03  0.43  1.0
  Co  Co6  1  0.49  0.01  0.0  1.0
  Co  Co7  1  0.49  0.01  0.43  1.0
  Co  Co8  1  0.36  0.0  0.64  1.0
  Co  Co9  1  0.68  0.64  0.21  1.0

data_Ti3Co5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Co5
_chemical_formula_sum   'Ti6 Co10'
_cell_volume   204.67
_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  0.21  0.26  0.0  1.0
  Ti  Ti1  1  0.21  0.36  0.35  1.0
  Ti  Ti2  1  0.21  0.87  0.69  1.0
  Ti  Ti3  1  0.64  0.13  0.69  1.0
  Ti  Ti4  1  0.64  0.64  0.35  1.0
  Ti  Ti5  1  0.64  0.72  0.0  1.0
  Co  Co6  1  -0.0  -0.0  0.03  1.0
  Co  Co7  1  0.0  0.49  0.01  1.0
  Co  Co8  1  0.21  0.19  0.4  1.0
  Co  Co9  1  0.21  0.62  0.0  1.0
  Co  Co10  1  0.21  0.68  0.64  1.0
  Co  Co11  1  0.43  -0.0  0.03  1.0
  Co  Co12  1  0.43  0.49  0.01  1.0
  Co  Co13  1  0.64  0.32  0.64  1.0
  Co  Co14  1  0.64  0.36  0.0  1.0
  Co  Co15  1  0.64  0.81  0.4  1.0

Ti Ti Ti Ti Ti Ti Co Co Co Co Co Co Co Co Co Co
Ti Ti Ti Ti Ti Ti Co Co Co Co Co Co Co Co Co Co 0 9 o o o 1 15 o o o 1 10 + + o 1 11 + + o 2 13 o o o 2 8 o o o 2 12 o o + 2 14 o o o 2 11 + o o 2 10 + o + 3 6 o o o 3 4 o o o 3 10 o o o 3 11 o o o 4 10 o o o 4 11 o o o 4 12 o o o 4 14 o o o 4 13 o o o 5 7 o o o 6 10 o o o 6 11 o o o 8 12 o o o 8 13 o o o 10 11 o o o 13 14 o o o 