data_YZrSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.52
_cell_length_c   3.32
_cell_angle_alpha   77.47
_cell_angle_beta   77.03
_cell_angle_gamma   25.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSc
_chemical_formula_sum   'Y1 Zr1 Sc1'
_cell_volume   79.0
_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  Y1  1  0.33  0.37  0.63  1.0
  Zr  Zr2  1  0.33  0.37  0.86  1.0
  Sc  Sc0  1  0.33  0.37  0.13  1.0

data_YZrSc
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.32
_cell_length_b   14.31
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   YZrSc
_chemical_formula_sum   'Y2 Zr2 Sc2'
_cell_volume   158.03
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.0  1.0  1.0
  Zr  Zr1  2  0.0  0.0  0.76  1.0
  Sc  Sc2  2  0.0  0.0  0.5  1.0

Y Zr Sc
Y Zr Sc 0 1 o o o 1 2 o o + 