data_YSc2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   3.1
_cell_angle_alpha   103.55
_cell_angle_beta   103.55
_cell_angle_gamma   119.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cr
_chemical_formula_sum   'Y1 Sc2 Cr1'
_cell_volume   87.33
_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  0.06  0.0  0.0  1.0
  Sc  Sc1  1  0.81  0.6  0.37  1.0
  Sc  Sc2  1  0.81  0.4  0.37  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_YSc2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.43
_cell_length_c   6.03
_cell_angle_alpha   115.94
_cell_angle_beta   103.55
_cell_angle_gamma   92.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cr
_chemical_formula_sum   'Y1 Sc2 Cr1'
_cell_volume   87.33
_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  -0.0  0.0  0.06  1.0
  Sc  Sc1  1  0.77  0.4  0.21  1.0
  Sc  Sc2  1  0.97  0.6  0.41  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Y Sc Sc Cr