data_ScP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   144.14
_cell_angle_beta   144.14
_cell_angle_gamma   51.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2W
_chemical_formula_sum   'Sc1 P2 W1'
_cell_volume   65.04
_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  Sc2  1  0.0  0.0  0.18  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.77  0.0  0.59  1.0
  W  W3  1  0.0  0.77  0.59  1.0

data_ScP2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   5.75
_cell_angle_alpha   107.93
_cell_angle_beta   107.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2W
_chemical_formula_sum   'Sc1 P2 W1'
_cell_volume   65.04
_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  0.18  0.18  0.18  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.59  0.82  0.82  1.0
  W  W3  1  0.82  0.59  0.82  1.0

Sc P P W