data_[V2Zn2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.8762]
_cell_length_b [2.8762]
_cell_length_c [9.8912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [VZnB]
_chemical_formula_sum '[V2 Zn2 B2]'
_cell_volume [70.8632]
_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  1  0.0000  0.0000  0.8271  1
  V  V1  1  0.3333  0.6667  0.1748  1
  Zn  Zn2  1  0.0000  0.0000  0.3912  1
  Zn  Zn3  1  0.3333  0.6667  0.6109  1
  B  B4  1  0.0000  0.0000  0.0351  1
  B  B5  1  0.6667  0.3333  0.0012  1
]