data_[Er8Sn2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9677]
_cell_length_b [7.7868]
_cell_length_c [8.3460]
_cell_angle_alpha [116.7344]
_cell_angle_beta [100.2760]
_cell_angle_gamma [96.6709]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er4SnRu2]
_chemical_formula_sum '[Er8 Sn2 Ru4]'
_cell_volume [332.1929]
_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  1  0.2170  0.9976  0.4024  1.0
  Er  Er1  1  0.3080  0.4903  0.3674  1.0
  Er  Er2  1  0.4157  0.3065  0.9021  1.0
  Er  Er3  1  0.5039  0.7311  0.8476  1.0
  Er  Er4  1  0.7237  0.1620  0.2818  1.0
  Er  Er5  1  0.7962  0.0838  0.6728  1.0
  Er  Er6  1  0.8976  0.6427  0.5632  1.0
  Er  Er7  1  0.9916  0.5768  0.9491  1.0
  Sn  Sn8  1  0.0892  0.0246  0.9985  1.0
  Sn  Sn9  1  0.6674  0.7238  0.2390  1.0
  Ru  Ru10  1  0.1138  0.3626  0.6152  1.0
  Ru  Ru11  1  0.3066  0.9111  0.6820  1.0
  Ru  Ru12  1  0.5908  0.3695  0.6128  1.0
  Ru  Ru13  1  0.8785  0.3676  0.1159  1.0
]