data_VW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VW3
_chemical_formula_sum   'V2 W6'
_cell_volume   127.4
_cell_formula_units_Z   2
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
  V  V0  1  0.74  0.58  0.69  1.0
  V  V1  1  0.0  0.16  0.23  1.0
  W  W2  1  0.0  0.58  0.69  1.0
  W  W3  1  0.74  0.15  0.23  1.0
  W  W4  1  0.36  0.95  0.69  1.0
  W  W5  1  0.37  0.79  0.23  1.0
  W  W6  1  0.64  0.95  0.69  1.0
  W  W7  1  0.1  0.79  0.23  1.0

data_VW3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.92
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VW3
_chemical_formula_sum   'V2 W6'
_cell_volume   127.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.23  0.37  0.21  1.0
  W  W1  2  0.23  0.27  0.58  1.0
  W  W2  2  0.23  0.63  0.21  1.0
  W  W3  2  0.23  1.0  0.58  1.0

V V W W W W W W
V V W W W W W W 0 2 + o o 1 3 - o o 4 6 o o o 5 7 o o o 