data_V2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.34
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CoSe
_chemical_formula_sum   'V2 Co1 Se1'
_cell_volume   53.87
_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  0.64  0.0  0.99  1.0
  V  V3  1  0.76  0.67  0.42  1.0
  Co  Co0  1  0.16  0.0  0.39  1.0
  Se  Se1  1  0.22  0.67  0.97  1.0

data_V2CoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.34
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CoSe
_chemical_formula_sum   'V2 Co1 Se1'
_cell_volume   53.87
_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  0.64  0.0  0.99  1.0
  V  V1  1  0.76  0.67  0.42  1.0
  Co  Co2  1  0.16  0.0  0.39  1.0
  Se  Se3  1  0.22  0.67  0.97  1.0

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