data_[Zr2Tc2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2190]
_cell_length_b [4.6451]
_cell_length_c [9.0610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrTcW2]
_chemical_formula_sum '[Zr2 Tc2 W4]'
_cell_volume [135.4858]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5069  1
  Tc  Tc1  2  0.0000  0.5000  0.7613  1
  W  W2  2  0.0000  0.0000  0.9952  1
  W  W3  2  0.0000  0.5000  0.2366  1
]