data_[Er5Zn4Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4866]
_cell_length_b [3.4866]
_cell_length_c [17.7113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er5Zn4Ru]
_chemical_formula_sum '[Er5 Zn4 Ru1]'
_cell_volume [215.3055]
_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  0.5000  0.5000  0.0911  1
  Er  Er1  2  0.5000  0.5000  0.2978  1
  Er  Er2  1  0.5000  0.5000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.1977  1
  Zn  Zn4  2  0.0000  0.0000  0.3989  1
  Ru  Ru5  1  0.0000  0.0000  0.0000  1
]