data_VCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   133.17
_cell_angle_beta   133.17
_cell_angle_gamma   68.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoNi2
_chemical_formula_sum   'V1 Co1 Ni2'
_cell_volume   44.75
_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  0.0  1.0
  Co  Co0  1  0.0  0.0  0.65  1.0
  Ni  Ni1  1  0.75  0.0  0.82  1.0
  Ni  Ni2  1  0.0  0.75  0.82  1.0

data_VCoNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   124.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCoNi2
_chemical_formula_sum   'V2 Co2 Ni4'
_cell_volume   89.5
_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
  Co  Co1  2  0.0  0.0  0.65  1.0
  Ni  Ni2  4  0.12  0.12  0.07  1.0

V Co Ni Ni
V Co Ni Ni 0 2 - o - 0 3 o - - 0 1 o o - 1 2 - o o 1 3 o - o 