data_[Tc2Mo3W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1205]
_cell_length_b [5.1464]
_cell_length_c [8.2587]
_cell_angle_alpha [76.8422]
_cell_angle_beta [86.8318]
_cell_angle_gamma [89.1364]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tc2Mo3W8]
_chemical_formula_sum '[Tc2 Mo3 W8]'
_cell_volume [211.5944]
_cell_formula_units_Z [1]
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
[
  Tc  Tc0  2  0.3937  0.2272  0.4716  1
  Mo  Mo1  2  0.2252  0.9096  0.0628  1
  Mo  Mo2  1  0.0000  0.5000  0.0000  1
  W  W3  2  0.0789  0.8510  0.6877  1
  W  W4  2  0.1612  0.6740  0.3889  1
  W  W5  2  0.3161  0.2946  0.7753  1
  W  W6  2  0.4395  0.3076  0.1477  1
]