data_[Er8Be4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4831]
_cell_length_b [5.3822]
_cell_length_c [6.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er2BeRu2]
_chemical_formula_sum '[Er8 Be4 Ru8]'
_cell_volume [364.5479]
_cell_formula_units_Z [4]
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  8  0.1453  0.3710  0.1417  1.0
  Be  Be1  4  0.0000  0.1137  0.7500  1.0
  Ru  Ru2  8  0.1277  0.1278  0.5148  1.0
]