data_YZrSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   142.86
_cell_angle_beta   142.86
_cell_angle_gamma   53.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSc
_chemical_formula_sum   'Y1 Zr1 Sc1'
_cell_volume   79.04
_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  0.0  0.0  0.58  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Sc  Sc0  1  0.0  0.0  0.17  1.0

data_YZrSc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   116.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZrSc
_chemical_formula_sum   'Y2 Zr2 Sc2'
_cell_volume   158.09
_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  0.08  0.5  0.58  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Sc  Sc2  2  0.17  0.0  0.17  1.0

Y Zr Sc