data_[Er4Cd5Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7463]
_cell_length_b [3.5388]
_cell_length_c [9.6156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Cd5Ru2]
_chemical_formula_sum '[Er4 Cd5 Ru2]'
_cell_volume [262.8392]
_cell_formula_units_Z [1]
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  0.1660  0.5000  0.8543  1.0
  Er  Er1  2  0.2071  0.5000  0.4505  1.0
  Cd  Cd2  2  0.1911  0.0000  0.1571  1.0
  Cd  Cd3  2  0.4501  0.0000  0.6760  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru5  2  0.0740  0.0000  0.6478  1.0
]