data_VCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.72
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Cl
_chemical_formula_sum   'V1 Co2 Cl1'
_cell_volume   49.64
_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  0.31  0.0  0.37  1.0
  Co  Co1  1  0.66  0.86  0.2  1.0
  Co  Co2  1  0.78  0.86  0.55  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_VCo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.72
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Cl
_chemical_formula_sum   'V1 Co2 Cl1'
_cell_volume   49.64
_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  0.31  0.0  0.37  1.0
  Co  Co1  1  0.66  0.86  0.2  1.0
  Co  Co2  1  0.78  0.86  0.55  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

V Co Co Cl
V Co Co Cl 0 1 o - o 0 1 - - o 0 2 o - o 0 3 o o o 1 3 o + o 1 3 + + o 1 2 o o o 