data_Sc2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   138.64
_cell_angle_beta   138.64
_cell_angle_gamma   59.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RuW
_chemical_formula_sum   'Sc2 Ru1 W1'
_cell_volume   70.64
_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  0.0  0.93  0.37  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.74  1.0
  W  W3  1  0.93  0.0  0.37  1.0

data_Sc2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.47
_cell_angle_alpha   110.68
_cell_angle_beta   110.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RuW
_chemical_formula_sum   'Sc2 Ru1 W1'
_cell_volume   70.64
_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
  Sc  Sc1  1  0.56  0.93  0.56  1.0
  Ru  Ru2  1  0.26  0.0  0.26  1.0
  W  W3  1  0.63  0.0  0.56  1.0

Sc Sc Ru W