data_SrScW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72
_cell_length_b   10.72
_cell_length_c   10.72
_cell_angle_alpha   16.05
_cell_angle_beta   16.05
_cell_angle_gamma   16.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScW2
_chemical_formula_sum   'Sr1 Sc1 W2'
_cell_volume   82.15
_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  Sr1  1  0.0  0.0  0.88  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.16  1.0
  W  W3  1  0.0  0.0  0.6  1.0

data_SrScW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   2.99
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   99.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrScW2
_chemical_formula_sum   'Sr2 Sc2 W4'
_cell_volume   164.3
_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
  Sr  Sr0  2  0.0  0.0  0.12  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.4  1.0
  W  W3  2  0.0  0.0  0.84  1.0

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