data_[Nb4V16Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4511]
_cell_length_b [16.2729]
_cell_length_c [4.9842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NbV4Tc]
_chemical_formula_sum '[Nb4 V16 Tc4]'
_cell_volume [361.0143]
_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
[
  Nb  Nb0  4  0.0000  0.0546  0.8068  1
  V  V1  4  0.0000  0.1583  0.2950  1
  V  V2  4  0.0000  0.2322  0.8558  1
  V  V3  4  0.0000  0.3219  0.4784  1
  V  V4  4  0.0000  0.3811  0.0312  1
  Tc  Tc5  4  0.0000  0.4630  0.5996  1
]