data_AlSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   40.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2W
_chemical_formula_sum   'Al1 Sb2 W1'
_cell_volume   82.26
_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
  Al  Al0  1  0.0  0.0  0.21  1.0
  Sb  Sb1  1  0.26  0.0  0.86  1.0
  Sb  Sb2  1  0.0  0.0  0.93  1.0
  W  W3  1  0.26  0.0  0.8  1.0

data_AlSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.52
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2W
_chemical_formula_sum   'Al1 Sb2 W1'
_cell_volume   82.26
_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
  Al  Al0  1  0.79  0.0  0.79  1.0
  Sb  Sb1  1  0.07  0.0  0.07  1.0
  Sb  Sb2  1  0.14  0.26  0.14  1.0
  W  W3  1  0.2  0.26  0.2  1.0

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