data_ScV2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2W
_chemical_formula_sum   'Sc1 V2 W1'
_cell_volume   65.31
_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  0.0  0.0  1.0
  V  V1  1  0.58  0.0  0.45  1.0
  V  V2  1  0.58  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_ScV2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.79
_cell_length_b   9.0
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   111.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScV2W
_chemical_formula_sum   'Sc1 V2 W1'
_cell_volume   65.31
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V1  2  0.58  0.45  0.0  1.0
  W  W2  1  0.0  0.5  0.0  1.0

Sc V V W
Sc V V W 0 0 + + o 0 0 o + o 0 0 + o o 1 2 o o o 1 3 + o o 2 3 + o o 