data_Sc2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.53
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiW
_chemical_formula_sum   'Sc2 Si1 W1'
_cell_volume   74.35
_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  0.75  0.0  0.02  1.0
  Sc  Sc1  1  0.84  0.26  0.58  1.0
  Si  Si2  1  0.29  0.0  0.63  1.0
  W  W3  1  0.28  0.26  0.0  1.0

data_Sc2SiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.53
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiW
_chemical_formula_sum   'Sc2 Si1 W1'
_cell_volume   74.35
_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  0.75  0.0  0.02  1.0
  Sc  Sc1  1  0.84  0.26  0.58  1.0
  Si  Si2  1  0.29  0.0  0.63  1.0
  W  W3  1  0.28  0.26  0.0  1.0

Sc Sc Si W