data_[Te2Mo4Ru2]
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 [Amm2]
_cell_length_a [4.1958]
_cell_length_b [2.9702]
_cell_length_c [10.7623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TeMo2Ru]
_chemical_formula_sum '[Te2 Mo4 Ru2]'
_cell_volume [134.1247]
_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  0.5000  0.0000  0.4435  1
  Mo  Mo1  2  0.0000  0.0000  0.0560  1
  Mo  Mo2  2  0.5000  0.0000  0.6943  1
  Ru  Ru3  2  0.0000  0.0000  0.2997  1
]