data_YSc2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.7
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cr
_chemical_formula_sum   'Y1 Sc2 Cr1'
_cell_volume   94.14
_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  0.0  0.35  0.41  1.0
  Sc  Sc1  1  0.07  0.35  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.07  0.0  0.41  1.0

data_YSc2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.7
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cr
_chemical_formula_sum   'Y1 Sc2 Cr1'
_cell_volume   94.14
_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  0.35  0.41  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.07  0.35  -0.0  1.0
  Cr  Cr3  1  0.07  0.0  0.41  1.0

Y Sc Sc Cr
Y Sc Sc Cr 0 3 o o o 0 1 o o o 1 2 o o o 2 3 o o o 