data_[V6Cr1Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2564]
_cell_length_b [4.2564]
_cell_length_c [7.6941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [V6CrTc2]
_chemical_formula_sum '[V6 Cr1 Tc2]'
_cell_volume [120.7191]
_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  2  0.0000  0.0000  0.1752  1
  V  V1  2  0.3333  0.6667  0.3916  1
  V  V2  2  0.3333  0.6667  0.7207  1
  Cr  Cr3  1  0.0000  0.0000  0.5000  1
  Tc  Tc4  2  0.3333  0.6667  0.0586  1
]