data_AlVW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   128.35
_cell_angle_beta   128.35
_cell_angle_gamma   76.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVW2
_chemical_formula_sum   'Al1 V1 W2'
_cell_volume   58.5
_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  0.0  1.0
  V  V1  1  0.01  0.0  0.81  1.0
  W  W2  1  0.0  0.0  0.63  1.0
  W  W3  1  0.0  0.01  0.81  1.0

data_AlVW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   128.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVW2
_chemical_formula_sum   'Al2 V2 W4'
_cell_volume   117.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  2  0.19  0.0  0.19  1.0
  W  W2  2  0.19  0.0  0.19  1.0
  W  W3  2  0.37  0.0  0.37  1.0

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