data_[Ta16Nb4Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2806]
_cell_length_b [5.3913]
_cell_length_c [5.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta8Nb2Tc]
_chemical_formula_sum '[Ta16 Nb4 Tc2]'
_cell_volume [406.0491]
_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
[
  Ta  Ta0  8  0.1610  0.2514  0.0703  1
  Ta  Ta1  4  0.0005  0.5000  0.2571  1
  Ta  Ta2  4  0.1017  0.0000  0.5408  1
  Nb  Nb3  4  0.1947  0.5000  0.5662  1
  Tc  Tc4  2  0.0000  0.0000  0.0000  1
]