data_[V2B1P3]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2059]
_cell_length_b [4.2488]
_cell_length_c [18.0685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [102.9075]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V2BP3]
_chemical_formula_sum '[V2 B1 P3]'
_cell_volume [314.7301]
_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  0.4884  0.8299  0.5145  1
  V  V1  1  0.9243  0.4462  0.5232  1
  B  B2  1  0.3916  0.3081  0.5453  1
  P  P3  1  0.0217  0.9573  0.5745  1
  P  P4  1  0.1795  0.6476  0.4047  1
  P  P5  1  0.4799  0.3214  0.4378  1
]