data_YSc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   135.48
_cell_angle_beta   128.32
_cell_angle_gamma   70.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2W
_chemical_formula_sum   'Y1 Sc2 W1'
_cell_volume   90.34
_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  0.0  0.65  1.0
  Sc  Sc0  1  0.09  0.0  0.04  1.0
  Sc  Sc1  1  0.0  0.0  0.44  1.0
  W  W2  1  0.09  0.0  0.38  1.0

data_YSc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.81
_cell_length_c   5.51
_cell_angle_alpha   115.84
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2W
_chemical_formula_sum   'Y1 Sc2 W1'
_cell_volume   90.34
_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  0.65  0.65  1.0
  Sc  Sc1  1  0.0  0.04  0.95  1.0
  Sc  Sc2  1  0.0  0.44  0.44  1.0
  W  W3  1  0.0  0.38  0.29  1.0

Y Sc Sc W
Y Sc Sc W 0 2 o o o 0 1 o o + 1 3 o o o 2 3 o o o 