data_V2CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.68
_cell_angle_alpha   99.46
_cell_angle_beta   99.46
_cell_angle_gamma   35.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuCl
_chemical_formula_sum   'V2 Cu1 Cl1'
_cell_volume   54.37
_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  V2  1  0.55  0.0  0.43  1.0
  V  V3  1  0.21  0.0  0.18  1.0
  Cu  Cu1  1  0.88  0.0  0.31  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_V2CuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.5
_cell_length_c   4.68
_cell_angle_alpha   99.46
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuCl
_chemical_formula_sum   'V2 Cu1 Cl1'
_cell_volume   54.37
_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  0.45  0.57  1.0
  V  V1  1  0.0  0.79  0.82  1.0
  Cu  Cu2  1  0.0  0.12  0.69  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

V V Cu Cl