data_[Te8Ru2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.5408]
_cell_length_b [3.6083]
_cell_length_c [19.0276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te4RuW]
_chemical_formula_sum '[Te8 Ru2 W2]'
_cell_volume [861.0098]
_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
[
  Te  Te0  2  0.0384  0.2500  0.0722  1
  Te  Te1  2  0.2044  0.2500  0.8991  1
  Te  Te2  2  0.2844  0.7500  0.1058  1
  Te  Te3  2  0.4614  0.7500  0.9230  1
  Ru  Ru4  2  0.1530  0.7500  0.9971  1
  W  W5  2  0.3403  0.2500  0.0049  1
]