data_[V4Cr4Tc6]
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 [C2/m]
_cell_length_a [17.6023]
_cell_length_b [4.1253]
_cell_length_c [2.6287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Cr2Tc3]
_chemical_formula_sum '[V4 Cr4 Tc6]'
_cell_volume [189.9043]
_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  0.0708  0.5000  0.7486  1
  Cr  Cr1  4  0.2181  0.5000  0.8116  1
  Tc  Tc2  4  0.1484  0.0000  0.4372  1
  Tc  Tc3  2  0.0000  0.0000  0.0000  1
]