data_YScW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.02
_cell_angle_alpha   91.82
_cell_angle_beta   91.82
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScW2
_chemical_formula_sum   'Y1 Sc1 W2'
_cell_volume   80.91
_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  0.63  0.0  0.06  1.0
  Sc  Sc0  1  0.92  0.0  0.33  1.0
  W  W1  1  0.83  0.0  0.93  1.0
  W  W2  1  0.17  0.0  0.73  1.0

data_YScW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.9
_cell_length_c   6.02
_cell_angle_alpha   91.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScW2
_chemical_formula_sum   'Y1 Sc1 W2'
_cell_volume   80.91
_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  0.37  0.94  1.0
  Sc  Sc1  1  0.0  0.08  0.67  1.0
  W  W2  1  0.0  0.17  0.07  1.0
  W  W3  1  0.0  0.83  0.27  1.0

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