data_[V1B1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7116]
_cell_length_b [18.7545]
_cell_length_c [8.1273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VBSe3]
_chemical_formula_sum '[V1 B1 Se3]'
_cell_volume [408.6575]
_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  0.3477  0.5000  0.6291  1
  B  B1  1  0.7851  0.5000  0.4101  1
  Se  Se2  2  0.0110  0.3999  0.7394  1
  Se  Se3  1  0.6739  0.5000  0.1757  1
]