data_[Er2Al4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4129]
_cell_length_b [6.6333]
_cell_length_c [5.2902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErAl2Ru]
_chemical_formula_sum '[Er2 Al4 Ru2]'
_cell_volume [147.1691]
_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  0.4457  0.7500  0.3574  1.0
  Al  Al1  4  0.1068  0.5538  0.7890  1.0
  Ru  Ru2  2  0.3481  0.2500  0.0945  1.0
]