data_VB2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   2.9
_cell_angle_alpha   94.9
_cell_angle_beta   94.9
_cell_angle_gamma   30.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Se
_chemical_formula_sum   'V1 B2 Se1'
_cell_volume   48.25
_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  0.54  0.0  0.52  1.0
  B  B0  1  0.73  0.0  0.69  1.0
  B  B1  1  0.88  0.0  0.05  1.0
  Se  Se2  1  0.09  0.0  0.08  1.0

data_VB2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.02
_cell_length_c   5.73
_cell_angle_alpha   105.28
_cell_angle_beta   94.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Se
_chemical_formula_sum   'V1 B2 Se1'
_cell_volume   48.25
_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  0.48  0.0  0.46  1.0
  B  B1  1  0.31  0.0  0.27  1.0
  B  B2  1  0.95  0.0  0.12  1.0
  Se  Se3  1  0.92  0.0  0.91  1.0

V B B Se