data_YTiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   6.86
_cell_length_c   3.06
_cell_angle_alpha   81.39
_cell_angle_beta   73.32
_cell_angle_gamma   25.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiCr
_chemical_formula_sum   'Y1 Ti1 Cr1'
_cell_volume   58.59
_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  Y2  1  0.77  0.49  0.63  1.0
  Ti  Ti1  1  0.77  0.49  0.41  1.0
  Cr  Cr0  1  0.77  0.49  0.21  1.0

data_YTiCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.55
_cell_length_b   13.26
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   125.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTiCr
_chemical_formula_sum   'Y2 Ti2 Cr2'
_cell_volume   117.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.49  0.0  0.6  1.0
  Ti  Ti1  2  0.49  0.0  0.81  1.0
  Cr  Cr2  2  0.49  0.0  0.02  1.0

Y Ti Cr
Y Ti Cr 0 1 o o o 1 2 o o o 