data_YTiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.6
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiCo2
_chemical_formula_sum   'Y1 Ti1 Co2'
_cell_volume   67.53
_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
  Y  Y3  1  0.58  0.8  0.71  1.0
  Ti  Ti2  1  0.0  0.0  0.34  1.0
  Co  Co0  1  0.0  0.0  0.18  1.0
  Co  Co1  1  0.58  0.8  0.69  1.0

data_YTiCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.6
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiCo2
_chemical_formula_sum   'Y1 Ti1 Co2'
_cell_volume   67.53
_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
  Y  Y0  1  0.58  0.8  0.71  1.0
  Ti  Ti1  1  0.0  0.0  0.34  1.0
  Co  Co2  1  0.0  0.0  0.18  1.0
  Co  Co3  1  0.58  0.8  0.69  1.0

Y Ti Co Co
Y Ti Co Co 0 3 o o o 1 2 o o o 