data_SrSc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.6
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2W
_chemical_formula_sum   'Sr1 Sc2 W1'
_cell_volume   101.44
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Sc  Sc0  1  0.49  0.8  0.44  1.0
  Sc  Sc1  1  0.6  0.8  0.59  1.0
  W  W3  1  0.79  0.0  0.02  1.0

data_SrSc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.6
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2W
_chemical_formula_sum   'Sr1 Sc2 W1'
_cell_volume   101.44
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.49  0.8  0.44  1.0
  Sc  Sc2  1  0.6  0.8  0.59  1.0
  W  W3  1  0.79  0.0  0.02  1.0

Sr Sc Sc W
Sr Sc Sc W 0 3 - o o 1 2 o o o 