data_ScTaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.49
_cell_angle_alpha   90.42
_cell_angle_beta   90.42
_cell_angle_gamma   32.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaW2
_chemical_formula_sum   'Sc1 Ta1 W2'
_cell_volume   71.26
_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
  Ta  Ta1  1  0.72  0.0  0.75  1.0
  W  W2  1  0.09  0.0  0.37  1.0
  W  W3  1  0.35  0.0  0.13  1.0

data_ScTaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.93
_cell_length_c   5.49
_cell_angle_alpha   90.42
_cell_angle_beta   90.0
_cell_angle_gamma   106.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaW2
_chemical_formula_sum   'Sc1 Ta1 W2'
_cell_volume   71.26
_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
  Ta  Ta1  1  0.0  0.28  0.25  1.0
  W  W2  1  0.0  0.65  0.87  1.0
  W  W3  1  0.0  0.91  0.63  1.0

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