data_[Ta2Ge8W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5294]
_cell_length_b [7.9318]
_cell_length_c [4.8532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaGe4W]
_chemical_formula_sum '[Ta2 Ge8 W2]'
_cell_volume [204.5045]
_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  2  0.0000  0.0000  0.0000  1
  Ge  Ge1  4  0.1499  0.6600  0.0575  1
  Ge  Ge2  4  0.3567  0.1659  0.4580  1
  W  W3  2  0.5000  0.0000  0.0000  1
]