data_VCu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   135.69
_cell_angle_beta   135.69
_cell_angle_gamma   64.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2W
_chemical_formula_sum   'V1 Cu2 W1'
_cell_volume   53.22
_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
  V  V2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.81  0.03  1.0
  Cu  Cu1  1  0.81  0.0  0.03  1.0
  W  W3  1  0.0  0.0  0.06  1.0

data_VCu2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   122.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCu2W
_chemical_formula_sum   'V2 Cu4 W2'
_cell_volume   106.44
_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
  V  V0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.09  0.09  0.22  1.0
  W  W2  2  0.0  0.0  0.06  1.0

V Cu Cu W