data_[Te8Mo4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1222]
_cell_length_b [7.1664]
_cell_length_c [7.1886]
_cell_angle_alpha [92.4572]
_cell_angle_beta [93.3947]
_cell_angle_gamma [94.4409]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te4Mo2Ru]
_chemical_formula_sum '[Te8 Mo4 Ru2]'
_cell_volume [364.7517]
_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  1  0.1249  0.7374  0.3758  1.0
  Te  Te1  1  0.2022  0.2113  0.2080  1.0
  Te  Te2  1  0.2797  0.6110  0.8761  1.0
  Te  Te3  1  0.3748  0.1143  0.7347  1.0
  Te  Te4  1  0.6211  0.8868  0.2790  1.0
  Te  Te5  1  0.7386  0.3837  0.1151  1.0
  Te  Te6  1  0.7833  0.7821  0.7885  1.0
  Te  Te7  1  0.8754  0.2647  0.6245  1.0
  Mo  Mo8  1  0.2468  0.4127  0.5416  1.0
  Mo  Mo9  1  0.4157  0.5500  0.2482  1.0
  Mo  Mo10  1  0.5421  0.2515  0.4105  1.0
  Mo  Mo11  1  0.7551  0.5871  0.4530  1.0
  Ru  Ru12  1  0.4548  0.7586  0.5900  1.0
  Ru  Ru13  1  0.5855  0.4488  0.7547  1.0
]