data_ScBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.6
_cell_angle_alpha   106.95
_cell_angle_beta   106.95
_cell_angle_gamma   33.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeW2
_chemical_formula_sum   'Sc1 Be1 W2'
_cell_volume   63.46
_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  0.19  0.0  0.19  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.84  0.0  0.01  1.0
  W  W3  1  0.54  0.0  0.37  1.0

data_ScBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.6
_cell_length_c   5.11
_cell_angle_alpha   106.95
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeW2
_chemical_formula_sum   'Sc1 Be1 W2'
_cell_volume   63.46
_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  0.19  0.19  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.01  0.84  1.0
  W  W3  1  0.0  0.37  0.54  1.0

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