data_ScMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.3
_cell_angle_alpha   91.25
_cell_angle_beta   91.25
_cell_angle_gamma   31.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMoW2
_chemical_formula_sum   'Sc1 Mo1 W2'
_cell_volume   68.68
_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  0.0  0.0  1.0
  Mo  Mo0  1  0.73  0.0  0.65  1.0
  W  W2  1  0.4  0.0  0.33  1.0
  W  W3  1  0.06  0.0  0.98  1.0

data_ScMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.98
_cell_length_c   5.3
_cell_angle_alpha   91.25
_cell_angle_beta   90.0
_cell_angle_gamma   105.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMoW2
_chemical_formula_sum   'Sc1 Mo1 W2'
_cell_volume   68.68
_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  0.0  0.27  0.35  1.0
  W  W2  1  0.0  0.6  0.67  1.0
  W  W3  1  0.0  0.94  0.02  1.0

Sc Mo W W