data_Sc2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   133.97
_cell_angle_beta   133.97
_cell_angle_gamma   67.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiW
_chemical_formula_sum   'Sc2 Si1 W1'
_cell_volume   71.15
_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  0.32  1.0
  Sc  Sc1  1  0.0  0.03  0.16  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.03  0.0  0.16  1.0

data_Sc2SiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.19
_cell_angle_alpha   113.02
_cell_angle_beta   113.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiW
_chemical_formula_sum   'Sc2 Si1 W1'
_cell_volume   71.15
_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  0.68  0.0  0.68  1.0
  Sc  Sc1  1  0.87  0.03  0.87  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.84  0.0  0.87  1.0

Sc Sc Si W