data_Sc2AgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.41
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgW
_chemical_formula_sum   'Sc2 Ag1 W1'
_cell_volume   77.47
_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
  Sc  Sc1  1  0.55  0.71  0.95  1.0
  Sc  Sc2  1  0.55  0.71  0.36  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.65  1.0

data_Sc2AgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.41
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgW
_chemical_formula_sum   'Sc2 Ag1 W1'
_cell_volume   77.47
_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
  Sc  Sc0  1  0.55  0.71  0.36  1.0
  Sc  Sc1  1  0.55  0.71  0.95  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.65  1.0

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