data_ScMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   139.0
_cell_angle_beta   139.0
_cell_angle_gamma   59.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2W
_chemical_formula_sum   'Sc1 Mo2 W1'
_cell_volume   68.04
_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  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.71  1.0
  Mo  Mo1  1  0.0  0.9  0.36  1.0
  W  W3  1  0.9  0.0  0.36  1.0

data_ScMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   5.42
_cell_angle_alpha   110.5
_cell_angle_beta   110.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2W
_chemical_formula_sum   'Sc1 Mo2 W1'
_cell_volume   68.04
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.29  0.0  0.29  1.0
  Mo  Mo2  1  0.54  0.9  0.54  1.0
  W  W3  1  0.64  0.0  0.54  1.0

Sc Mo Mo W