data_ScPd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.05
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPd2W
_chemical_formula_sum   'Sc1 Pd2 W1'
_cell_volume   65.67
_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  0.0  1.0
  Pd  Pd0  1  0.42  0.03  0.24  1.0
  Pd  Pd1  1  0.42  0.03  0.48  1.0
  W  W3  1  0.0  0.0  0.86  1.0

data_ScPd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.05
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPd2W
_chemical_formula_sum   'Sc1 Pd2 W1'
_cell_volume   65.67
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.42  0.03  0.24  1.0
  Pd  Pd2  1  0.42  0.03  0.48  1.0
  W  W3  1  0.0  0.0  0.86  1.0

Sc Pd Pd W
Sc Pd Pd W 0 3 o o - 1 2 o o o 