data_ScBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeW2
_chemical_formula_sum   'Sc1 Be1 W2'
_cell_volume   63.94
_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  0.7  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.35  0.81  0.35  1.0
  W  W3  1  0.35  0.19  0.35  1.0

data_ScBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   116.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeW2
_chemical_formula_sum   'Sc1 Be1 W2'
_cell_volume   63.94
_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  0.7  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.35  0.35  0.81  1.0
  W  W3  1  0.35  0.35  0.19  1.0

Sc Be W W
Sc Be W W 0 1 + o o 0 2 o - o 1 3 o o o 2 3 o + o 