data_SrSc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.71
_cell_angle_alpha   94.79
_cell_angle_beta   94.79
_cell_angle_gamma   35.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2W
_chemical_formula_sum   'Sr1 Sc2 W1'
_cell_volume   99.75
_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  0.2  0.0  0.08  1.0
  Sc  Sc1  1  0.84  0.0  0.61  1.0
  W  W3  1  0.52  0.0  0.34  1.0

data_SrSc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.06
_cell_length_c   6.71
_cell_angle_alpha   94.79
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2W
_chemical_formula_sum   'Sr1 Sc2 W1'
_cell_volume   99.75
_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  0.0  0.16  0.39  1.0
  Sc  Sc2  1  0.0  0.8  0.92  1.0
  W  W3  1  0.0  0.48  0.66  1.0

Sr Sc Sc W