data_[Er12Cu10Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8529]
_cell_length_b [14.5689]
_cell_length_c [6.8293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er6Cu5Ru]
_chemical_formula_sum '[Er12 Cu10 Ru2]'
_cell_volume [482.8423]
_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  8  0.0000  0.1643  0.2468  1
  Er  Er1  4  0.0000  0.5000  0.2439  1
  Cu  Cu2  4  0.0000  0.3332  0.0000  1
  Cu  Cu3  4  0.0000  0.3355  0.5000  1
  Cu  Cu4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]