data_[Er4B10Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.2297]
_cell_length_b [4.0129]
_cell_length_c [8.1622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Er2B5Ru3]
_chemical_formula_sum '[Er4 B10 Ru6]'
_cell_volume [268.7374]
_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  0.1703  0.2169  0.7601  1.0
  B  B1  4  0.0027  0.5111  0.1075  1.0
  B  B2  4  0.1425  0.2356  0.3071  1.0
  B  B3  2  0.0000  0.7303  0.5000  1.0
  Ru  Ru4  4  0.1282  0.7435  0.3992  1.0
  Ru  Ru5  2  0.0000  0.0219  0.0000  1.0
]