data_VCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuCl2
_chemical_formula_sum   'V1 Cu1 Cl2'
_cell_volume   80.37
_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  V3  1  0.0  0.0  0.25  1.0
  Cu  Cu2  1  0.93  0.0  0.88  1.0
  Cl  Cl0  1  0.93  0.0  0.71  1.0
  Cl  Cl1  1  0.0  0.0  0.14  1.0

data_VCuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuCl2
_chemical_formula_sum   'V1 Cu1 Cl2'
_cell_volume   80.37
_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  V0  1  0.0  0.0  0.25  1.0
  Cu  Cu1  1  0.93  0.0  0.88  1.0
  Cl  Cl2  1  0.0  0.0  0.14  1.0
  Cl  Cl3  1  0.93  0.0  0.71  1.0

V Cu Cl Cl