data_[Er2Si6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5785]
_cell_length_b [5.4522]
_cell_length_c [5.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErSi3Ru]
_chemical_formula_sum '[Er2 Si6 Ru2]'
_cell_volume [168.8032]
_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
[
  Er  Er0  2  0.2109  0.2500  0.7093  1
  Si  Si1  4  0.2754  0.5034  0.2562  1
  Si  Si2  2  0.3422  0.7500  0.6392  1
  Ru  Ru3  2  0.0899  0.7500  0.9069  1
]