data_ScInW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   146.57
_cell_angle_beta   136.99
_cell_angle_gamma   55.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInW
_chemical_formula_sum   'Sc1 In1 W1'
_cell_volume   58.27
_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  0.42  1.0
  In  In0  1  0.0  0.0  0.47  1.0
  W  W2  1  0.0  0.0  0.17  1.0

data_ScInW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.95
_cell_length_c   5.38
_cell_angle_alpha   111.51
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInW
_chemical_formula_sum   'Sc1 In1 W1'
_cell_volume   58.27
_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  0.42  0.42  1.0
  In  In1  1  0.0  0.47  0.47  1.0
  W  W2  1  0.0  0.17  0.17  1.0

Sc In W