data_[Zr8Ti8Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8203]
_cell_length_b [5.8455]
_cell_length_c [5.7854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Ti2Tc]
_chemical_formula_sum '[Zr8 Ti8 Tc4]'
_cell_volume [390.8855]
_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
[
  Zr  Zr0  8  0.1164  0.1252  0.0790  1
  Ti  Ti1  8  0.1640  0.3807  0.5544  1
  Tc  Tc2  4  0.0000  0.4267  0.7500  1
]