data_BeSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.3
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2W
_chemical_formula_sum   'Be1 Sb2 W1'
_cell_volume   76.16
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.15  0.53  1.0
  Sb  Sb2  1  0.75  0.15  0.0  1.0
  W  W3  1  0.75  0.0  0.53  1.0

data_BeSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.3
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2W
_chemical_formula_sum   'Be1 Sb2 W1'
_cell_volume   76.16
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.15  0.53  1.0
  Sb  Sb2  1  0.75  0.15  0.0  1.0
  W  W3  1  0.75  0.0  0.53  1.0

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