data_[V2Cr6Tc2]
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 [P2_1/m]
_cell_length_a [4.4608]
_cell_length_b [4.7753]
_cell_length_c [6.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VCr3Tc]
_chemical_formula_sum '[V2 Cr6 Tc2]'
_cell_volume [129.6850]
_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  2  0.1139  0.7500  0.5047  1
  Cr  Cr1  4  0.2113  0.5137  0.8955  1
  Cr  Cr2  2  0.2826  0.2500  0.2582  1
  Tc  Tc3  2  0.4746  0.7500  0.3077  1
]