data_ScPW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.19
_cell_length_c   2.98
_cell_angle_alpha   80.63
_cell_angle_beta   72.12
_cell_angle_gamma   27.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPW
_chemical_formula_sum   'Sc1 P1 W1'
_cell_volume   49.93
_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  0.73  0.42  0.79  1.0
  P  P0  1  0.73  0.42  0.81  1.0
  W  W2  1  0.73  0.42  0.17  1.0

data_ScPW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.47
_cell_length_b   11.89
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   125.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScPW
_chemical_formula_sum   'Sc2 P2 W2'
_cell_volume   99.87
_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
  Sc  Sc0  2  0.29  0.5  0.53  1.0
  P  P1  2  0.31  0.5  0.55  1.0
  W  W2  2  0.17  0.0  0.9  1.0

Sc P W