data_ScSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.96
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   46.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2W
_chemical_formula_sum   'Sc1 Si2 W1'
_cell_volume   66.64
_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
  Si  Si1  1  0.67  0.0  0.51  1.0
  Si  Si2  1  0.73  0.0  0.11  1.0
  W  W3  1  0.2  0.0  0.31  1.0

data_ScSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.47
_cell_length_c   4.96
_cell_angle_alpha   109.77
_cell_angle_beta   90.0
_cell_angle_gamma   113.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2W
_chemical_formula_sum   'Sc1 Si2 W1'
_cell_volume   66.64
_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
  Si  Si1  1  0.0  0.27  0.89  1.0
  Si  Si2  1  0.0  0.33  0.49  1.0
  W  W3  1  0.0  0.8  0.69  1.0

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