data_[V4Tc4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0081]
_cell_length_b [3.0843]
_cell_length_c [12.9921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VTcCl]
_chemical_formula_sum '[V4 Tc4 Cl4]'
_cell_volume [200.6785]
_cell_formula_units_Z [4]
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  0.1463  0.0000  0.7717  1
  Tc  Tc1  4  0.1592  0.5000  0.9179  1
  Cl  Cl2  4  0.1718  0.0000  0.3559  1
]