data_VCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.22
_cell_angle_alpha   106.98
_cell_angle_beta   106.98
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoBi2
_chemical_formula_sum   'V1 Co1 Bi2'
_cell_volume   84.04
_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  0.09  0.0  0.24  1.0
  Co  Co2  1  0.9  0.0  0.38  1.0
  Bi  Bi0  1  0.18  0.0  0.39  1.0
  Bi  Bi1  1  0.35  0.0  0.45  1.0

data_VCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.22
_cell_length_c   5.53
_cell_angle_alpha   106.98
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoBi2
_chemical_formula_sum   'V1 Co1 Bi2'
_cell_volume   84.04
_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  0.24  0.09  1.0
  Co  Co1  1  0.0  0.38  0.9  1.0
  Bi  Bi2  1  0.0  0.39  0.18  1.0
  Bi  Bi3  1  0.0  0.45  0.35  1.0

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