data_[V6Sn2B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1070]
_cell_length_b [3.1070]
_cell_length_c [18.0107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [V3SnB2]
_chemical_formula_sum '[V6 Sn2 B4]'
_cell_volume [150.5753]
_cell_formula_units_Z [2]
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  4  0.3333  0.6667  0.6275  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.2500  1
  B  B3  4  0.3333  0.6667  0.0676  1
]