data_VCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   2.5
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoCu2
_chemical_formula_sum   'V1 Co1 Cu2'
_cell_volume   48.0
_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  0.92  1.0
  Co  Co0  1  0.49  0.0  0.04  1.0
  Cu  Cu1  1  0.0  0.0  0.05  1.0
  Cu  Cu2  1  0.49  0.0  0.05  1.0

data_VCoCu2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.5
_cell_length_b   8.04
_cell_length_c   2.5
_cell_angle_alpha   90.0
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VCoCu2
_chemical_formula_sum   'V1 Co1 Cu2'
_cell_volume   48.0
_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
  V  V0  1  0.0  0.08  0.0  1.0
  Co  Co1  1  0.5  0.96  0.0  1.0
  Cu  Cu2  1  0.0  0.95  0.0  1.0
  Cu  Cu3  1  0.5  0.95  0.0  1.0

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