data_[Tc2Os4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1082]
_cell_length_b [2.7670]
_cell_length_c [4.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcOs2W]
_chemical_formula_sum '[Tc2 Os4 W2]'
_cell_volume [119.2773]
_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
[
  Tc  Tc0  2  0.0031  0.5000  0.5159  1
  Os  Os1  2  0.2519  0.0000  0.7477  1
  Os  Os2  2  0.4962  0.5000  0.9910  1
  W  W3  2  0.2489  0.5000  0.2455  1
]