data_[Er10Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2675]
_cell_length_b [4.3330]
_cell_length_c [9.6105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5Ru4]
_chemical_formula_sum '[Er10 Ru8]'
_cell_volume [399.3828]
_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  4  0.1112  0.0000  0.3953  1.0
  Er  Er1  4  0.2457  0.0000  0.8252  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0510  0.5000  0.8506  1.0
  Ru  Ru4  4  0.1045  0.5000  0.6143  1.0
]