data_[Si2Te4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6835]
_cell_length_b [3.8169]
_cell_length_c [7.1489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiTe2Ru]
_chemical_formula_sum '[Si2 Te4 Ru2]'
_cell_volume [205.1598]
_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
[
  Si  Si0  2  0.3034  0.5000  0.3645  1
  Te  Te1  2  0.2134  0.0000  0.6294  1
  Te  Te2  2  0.4745  0.5000  0.1052  1
  Ru  Ru3  2  0.0088  0.5000  0.4010  1
]